N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine

C17H23N — CID 62528945

IUPACN,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine
SMILESCNCC(Cc1cccc2ccccc12)C(C)C
InChIInChI=1S/C17H23N/c1-13(2)16(12-18-3)11-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,13,16,18H,11-12H2,1-3H3
InChIKeyIDJDNBIKKYOHDI-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.87
Rot. Bonds5

About N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine

N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine (PubChem CID 62528945) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine
PubChem CID62528945
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine
SMILESCNCC(Cc1cccc2ccccc12)C(C)C
InChIInChI=1S/C17H23N/c1-13(2)16(12-18-3)11-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,13,16,18H,11-12H2,1-3H3
InChIKeyIDJDNBIKKYOHDI-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-3-naphthalen-1-ylpropan-1-amine
CID 62528877
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
N,4-dimethyl-3-(naphthalen-1-ylmethyl)pentan-2-amine
CID 62916002
1-(2-chloropropyl)naphthalene
CID 12809422
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
2,3-dimethyl-4-naphthalen-1-yl-N-propylbutan-1-amine
CID 81016240
3-methyl-2-(naphthalen-1-ylmethyl)butanenitrile
CID 116931776
3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine
CID 116720031
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 62531157

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine (CID 62528945) is N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine is CNCC(Cc1cccc2ccccc12)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine?
The InChIKey is IDJDNBIKKYOHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-13(2)16(12-18-3)11-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,13,16,18H,11-12H2,1-3H3.
What are the key properties of N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine?
N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine is sourced from PubChem (CID 62528945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).