1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine

C17H24N2 — CID 115200753

IUPAC1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
SMILESCN(CCC(C)(C)N)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H24N2/c1-17(2,18)10-11-19(3)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12H,10-11,13,18H2,1-3H3
InChIKeyXFKPJNHEOBJYOX-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.40
Rot. Bonds5

About 1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine

1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine (PubChem CID 115200753) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
PubChem CID115200753
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
SMILESCN(CCC(C)(C)N)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H24N2/c1-17(2,18)10-11-19(3)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12H,10-11,13,18H2,1-3H3
InChIKeyXFKPJNHEOBJYOX-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
CID 115199470
N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide
CID 61264255
1-N-[(4-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 64679520
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270374
2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide
CID 114328072
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60936685
2-N,2-dimethyl-2-N-(naphthalen-2-ylmethyl)propane-1,2-diamine
CID 115132094
CID 15863483
CID 15863483
1-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200729
4-[methyl(naphthalen-2-ylmethyl)amino]butane-1-sulfonic acid
CID 8599863
N-methyl-N-(naphthalen-2-ylmethyl)-2-pyrrolidin-2-ylethanamine
CID 115210395

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine (CID 115200753) is 1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine is CN(CCC(C)(C)N)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine?
The InChIKey is XFKPJNHEOBJYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-17(2,18)10-11-19(3)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12H,10-11,13,18H2,1-3H3.
What are the key properties of 1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine?
1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine has a molecular weight of 256.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 115200753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).