2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine

C17H24N2 — CID 115202803

IUPAC2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine
SMILESCC(CCN)CNCCc1cccc2ccccc12
InChIInChI=1S/C17H24N2/c1-14(9-11-18)13-19-12-10-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14,19H,9-13,18H2,1H3
InChIKeySCSNFYVBQDDHGN-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.96
Rot. Bonds7

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

2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine (PubChem CID 115202803) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine
PubChem CID115202803
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine
SMILESCC(CCN)CNCCc1cccc2ccccc12
InChIInChI=1S/C17H24N2/c1-14(9-11-18)13-19-12-10-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14,19H,9-13,18H2,1H3
InChIKeySCSNFYVBQDDHGN-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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

1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine
CID 115204071
N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202717
N-[2-(3-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202786
(2-naphthalen-1-ylethylamino)methanol
CID 115229403
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine
CID 87606018
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
N-(4-naphthalen-1-ylbutan-2-yl)aniline
CID 162403213
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol
CID 115137096
N-(2-methoxyethyl)-3-methyl-5-naphthalen-1-ylpentan-1-amine
CID 65304143
N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine (CID 115202803) is 2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine is CC(CCN)CNCCc1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine?
The InChIKey is SCSNFYVBQDDHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-14(9-11-18)13-19-12-10-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14,19H,9-13,18H2,1H3.
What are the key properties of 2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine?
2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine has a molecular weight of 256.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine is sourced from PubChem (CID 115202803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).