N-benzyl-N-methylheptan-2-amine

C15H25N — CID 101048002

IUPACN-benzyl-N-methylheptan-2-amine
SMILESCCCCCC(C)N(C)Cc1ccccc1
InChIInChI=1S/C15H25N/c1-4-5-7-10-14(2)16(3)13-15-11-8-6-9-12-15/h6,8-9,11-12,14H,4-5,7,10,13H2,1-3H3
InChIKeyDFPKDHGEBQHUMR-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.09
Rot. Bonds7

About N-benzyl-N-methylheptan-2-amine

N-benzyl-N-methylheptan-2-amine (PubChem CID 101048002) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-benzyl-N-methylheptan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methylheptan-2-amine
PubChem CID101048002
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-benzyl-N-methylheptan-2-amine
SMILESCCCCCC(C)N(C)Cc1ccccc1
InChIInChI=1S/C15H25N/c1-4-5-7-10-14(2)16(3)13-15-11-8-6-9-12-15/h6,8-9,11-12,14H,4-5,7,10,13H2,1-3H3
InChIKeyDFPKDHGEBQHUMR-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-pentadecan-2-ylpentadecan-2-amine
CID 90045050
1-N'-benzyl-1-N,1-N'-dimethylheptadecane-1,1-diamine
CID 90352630
N-benzyl-N-methylbutan-2-amine
CID 15496809
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
N-[3-[benzyl(methyl)amino]butyl]octadecanamide;hydrochloride
CID 175021170
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
CID 62558509
(2S)-2-[benzyl(methyl)amino]hexanoic acid
CID 165358312
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
2-N-benzyl-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424367
N-[[4-[[di(tridecan-2-yl)amino]methyl]phenyl]methyl]-N-tridecan-2-yltridecan-2-amine;dihydrochloride
CID 173275062
ethane;2-methylheptylbenzene
CID 142204161

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylheptan-2-amine?
The IUPAC name of N-benzyl-N-methylheptan-2-amine (CID 101048002) is N-benzyl-N-methylheptan-2-amine.
What is the SMILES notation for N-benzyl-N-methylheptan-2-amine?
The canonical SMILES for N-benzyl-N-methylheptan-2-amine is CCCCCC(C)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methylheptan-2-amine?
The InChIKey is DFPKDHGEBQHUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-5-7-10-14(2)16(3)13-15-11-8-6-9-12-15/h6,8-9,11-12,14H,4-5,7,10,13H2,1-3H3.
What are the key properties of N-benzyl-N-methylheptan-2-amine?
N-benzyl-N-methylheptan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylheptan-2-amine is sourced from PubChem (CID 101048002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).