1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine

C17H24N2 — CID 115204071

IUPAC1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine
SMILESCC(N)CCCNCCc1cccc2ccccc12
InChIInChI=1S/C17H24N2/c1-14(18)6-5-12-19-13-11-16-9-4-8-15-7-2-3-10-17(15)16/h2-4,7-10,14,19H,5-6,11-13,18H2,1H3
InChIKeyMHFONJHOPAIVRL-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.10
Rot. Bonds7

About 1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine

1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine (PubChem CID 115204071) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine
PubChem CID115204071
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine
SMILESCC(N)CCCNCCc1cccc2ccccc12
InChIInChI=1S/C17H24N2/c1-14(18)6-5-12-19-13-11-16-9-4-8-15-7-2-3-10-17(15)16/h2-4,7-10,14,19H,5-6,11-13,18H2,1H3
InChIKeyMHFONJHOPAIVRL-UHFFFAOYSA-N
XLogP3.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine
CID 115202803
5-(naphthalen-1-ylmethylamino)pentan-2-ol
CID 107267647
3-amino-N-(2-naphthalen-1-ylethyl)butanamide
CID 115154377
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
(2-naphthalen-1-ylethylamino)methanol
CID 115229403
3-(2-naphthalen-1-ylethylamino)propane-1-sulfonic acid
CID 87095275
N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine
CID 87606018
1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine
CID 115204032
7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
CID 28528182
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
N-(4-naphthalen-1-ylbutan-2-yl)aniline
CID 162403213

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine?
The IUPAC name of 1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine (CID 115204071) is 1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine is CC(N)CCCNCCc1cccc2ccccc12.
What is the InChIKey of 1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine?
The InChIKey is MHFONJHOPAIVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-14(18)6-5-12-19-13-11-16-9-4-8-15-7-2-3-10-17(15)16/h2-4,7-10,14,19H,5-6,11-13,18H2,1H3.
What are the key properties of 1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine?
1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine has a molecular weight of 256.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine is sourced from PubChem (CID 115204071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).