(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride

C16H23ClN2O — CID 171212923

IUPAC(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride
SMILESCOc1ccc2ccccc2c1[C@H](N)CCCCN.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-19-15-10-9-12-6-2-3-7-13(12)16(15)14(18)8-4-5-11-17;/h2-3,6-7,9-10,14H,4-5,8,11,17-18H2,1H3;1H/t14-;/m1./s1
InChIKeyHQBUEAFBUNCWCJ-PFEQFJNWSA-N
MW294.83 g/mol
LogP3.40
Rot. Bonds6

About (1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride

(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride (PubChem CID 171212923) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride
PubChem CID171212923
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride
SMILESCOc1ccc2ccccc2c1[C@H](N)CCCCN.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-19-15-10-9-12-6-2-3-7-13(12)16(15)14(18)8-4-5-11-17;/h2-3,6-7,9-10,14H,4-5,8,11,17-18H2,1H3;1H/t14-;/m1./s1
InChIKeyHQBUEAFBUNCWCJ-PFEQFJNWSA-N
XLogP3.40
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.40
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

(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
(1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride
CID 171197562
(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine
CID 171212939
(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171213373
(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171212938
(3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride
CID 171260616
(1R)-2-cyclopropyl-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171212937
(1R)-1-(2-ethoxynaphthalen-1-yl)pentan-1-amine
CID 171213385
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
(1S)-1-(2-methoxynaphthalen-1-yl)-3-methylbut-3-en-1-amine
CID 171232576
(4R)-4-amino-4-(2-ethoxynaphthalen-1-yl)butan-1-ol;hydrochloride
CID 171213427
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride?
The IUPAC name of (1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride (CID 171212923) is (1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride is COc1ccc2ccccc2c1[C@H](N)CCCCN.Cl.
What is the InChIKey of (1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride?
The InChIKey is HQBUEAFBUNCWCJ-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-19-15-10-9-12-6-2-3-7-13(12)16(15)14(18)8-4-5-11-17;/h2-3,6-7,9-10,14H,4-5,8,11,17-18H2,1H3;1H/t14-;/m1./s1.
What are the key properties of (1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride?
(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171212923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).