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

C16H22N2 — CID 115199470

IUPAC1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
SMILESCC(N)CCN(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H22N2/c1-13(17)9-10-18(2)12-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,13H,9-10,12,17H2,1-2H3
InChIKeyKWONGTUAAZXTKQ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.01
Rot. Bonds5

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

1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine (PubChem CID 115199470) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
PubChem CID115199470
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
SMILESCC(N)CCN(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H22N2/c1-13(17)9-10-18(2)12-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,13H,9-10,12,17H2,1-2H3
InChIKeyKWONGTUAAZXTKQ-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine
CID 115199467
(2R)-4-naphthalen-2-ylbutan-2-amine
CID 131577314
1-N-methyl-1-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 115197005
1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
CID 115200753
N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine
CID 115199230
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303
1-N-methyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]butane-1,3-diamine
CID 115199389
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
CID 79013131
4-amino-1-[methyl(naphthalen-2-ylmethyl)amino]butan-2-ol
CID 117039266
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199383
N-hydroxy-4-[methyl(naphthalen-2-ylmethyl)amino]butanamide
CID 58982133

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine (CID 115199470) is 1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine is CC(N)CCN(C)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine?
The InChIKey is KWONGTUAAZXTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13(17)9-10-18(2)12-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,13H,9-10,12,17H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine?
1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine has a molecular weight of 242.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 115199470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).