(3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine

C20H36N4O — CID 155277721

IUPAC(3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine
SMILESCC[C@@H](N)CCN(CCCCc1ccc2c(n1)NCCC2)CCOC
InChIInChI=1S/C20H36N4O/c1-3-18(21)11-14-24(15-16-25-2)13-5-4-8-19-10-9-17-7-6-12-22-20(17)23-19/h9-10,18H,3-8,11-16,21H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyONLBYAOEXQDLAS-GOSISDBHSA-N
MW348.54 g/mol
LogP2.84
Rot. Bonds12

About (3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine

(3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine (PubChem CID 155277721) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is (3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine.

Molecular Properties

Compound Name(3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine
PubChem CID155277721
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name(3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine
SMILESCC[C@@H](N)CCN(CCCCc1ccc2c(n1)NCCC2)CCOC
InChIInChI=1S/C20H36N4O/c1-3-18(21)11-14-24(15-16-25-2)13-5-4-8-19-10-9-17-7-6-12-22-20(17)23-19/h9-10,18H,3-8,11-16,21H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyONLBYAOEXQDLAS-GOSISDBHSA-N
XLogP2.84
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-amino-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoate
CID 139473961
(2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[(2-methylpyrazol-3-yl)amino]butanoic acid
CID 139463522
4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)butanoic acid
CID 139463993
(3S)-3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one
CID 139481324
3-amino-5-[3-fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]pentan-2-one
CID 174152834
2-(isoquinolin-1-ylamino)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 139463803
4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(quinazolin-4-ylamino)butanoic acid;hydrochloride
CID 175474830
2-acetamido-4-[2-ethoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;ethane
CID 176962151
(2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(pyrido[4,3-d]pyrimidin-4-ylamino)butanoic acid
CID 169428843
4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[(2-methylquinazolin-4-yl)amino]butanoic acid
CID 139463412
(2S)-2-amino-4-[2-(4-fluorophenoxy)ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;hydrochloride
CID 139464190
2-amino-4-[2-(4-fluorophenoxy)ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid;hydrochloride
CID 139464191

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine?
The IUPAC name of (3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine (CID 155277721) is (3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine.
What is the SMILES notation for (3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine?
The canonical SMILES for (3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine is CC[C@@H](N)CCN(CCCCc1ccc2c(n1)NCCC2)CCOC.
What is the InChIKey of (3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine?
The InChIKey is ONLBYAOEXQDLAS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H36N4O/c1-3-18(21)11-14-24(15-16-25-2)13-5-4-8-19-10-9-17-7-6-12-22-20(17)23-19/h9-10,18H,3-8,11-16,21H2,1-2H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine?
(3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine has a molecular weight of 348.54 g/mol, XLogP of 2.84, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine is sourced from PubChem (CID 155277721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).