N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine

C18H23N3 — CID 95128968

IUPACN'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine
SMILESc1cncc(NCCCN[C@H]2CCc3ccccc3C2)c1
InChIInChI=1S/C18H23N3/c1-2-6-16-13-17(9-8-15(16)5-1)20-11-4-12-21-18-7-3-10-19-14-18/h1-3,5-7,10,14,17,20-21H,4,8-9,11-13H2/t17-/m0/s1
InChIKeyBZJIXHZCQFFFAY-KRWDZBQOSA-N
MW281.40 g/mol
LogP3.03
Rot. Bonds6

About N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine

N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine (PubChem CID 95128968) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine
PubChem CID95128968
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine
SMILESc1cncc(NCCCN[C@H]2CCc3ccccc3C2)c1
InChIInChI=1S/C18H23N3/c1-2-6-16-13-17(9-8-15(16)5-1)20-11-4-12-21-18-7-3-10-19-14-18/h1-3,5-7,10,14,17,20-21H,4,8-9,11-13H2/t17-/m0/s1
InChIKeyBZJIXHZCQFFFAY-KRWDZBQOSA-N
XLogP3.03
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983305
3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol
CID 93026634
N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60669476
N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115572613
6-N-(5-pyridin-3-ylpentyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 70056976
2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethanesulfonamide
CID 43777346
N-(pyridazin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106895183
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
6-N-propyl-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazine-2,6-diamine
CID 80798375
N-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 15061903
7-methoxy-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510305

Frequently Asked Questions

What is the IUPAC name of N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine?
The IUPAC name of N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine (CID 95128968) is N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine.
What is the SMILES notation for N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine?
The canonical SMILES for N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine is c1cncc(NCCCN[C@H]2CCc3ccccc3C2)c1.
What is the InChIKey of N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine?
The InChIKey is BZJIXHZCQFFFAY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-6-16-13-17(9-8-15(16)5-1)20-11-4-12-21-18-7-3-10-19-14-18/h1-3,5-7,10,14,17,20-21H,4,8-9,11-13H2/t17-/m0/s1.
What are the key properties of N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine?
N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine has a molecular weight of 281.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine is sourced from PubChem (CID 95128968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).