N-benzyl-2-methylnonan-2-amine

C17H29N — CID 54410414

IUPACN-benzyl-2-methylnonan-2-amine
SMILESCCCCCCCC(C)(C)NCc1ccccc1
InChIInChI=1S/C17H29N/c1-4-5-6-7-11-14-17(2,3)18-15-16-12-9-8-10-13-16/h8-10,12-13,18H,4-7,11,14-15H2,1-3H3
InChIKeyVTSORZNABSQQNC-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.92
Rot. Bonds9

About N-benzyl-2-methylnonan-2-amine

N-benzyl-2-methylnonan-2-amine (PubChem CID 54410414) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-benzyl-2-methylnonan-2-amine.

Molecular Properties

Compound NameN-benzyl-2-methylnonan-2-amine
PubChem CID54410414
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-benzyl-2-methylnonan-2-amine
SMILESCCCCCCCC(C)(C)NCc1ccccc1
InChIInChI=1S/C17H29N/c1-4-5-6-7-11-14-17(2,3)18-15-16-12-9-8-10-13-16/h8-10,12-13,18H,4-7,11,14-15H2,1-3H3
InChIKeyVTSORZNABSQQNC-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-(benzylamino)-3-undecylpentane-1,5-diol
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2-(benzylamino)-2-methylheptanoic acid
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N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine
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N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine;hydrochloride
CID 174782012
N-(2-methyltridecan-2-yl)aniline
CID 67784312
2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine
CID 19606660
3,3-dimethyltetradecylbenzene
CID 141108755
N-ethyl-2-methyloctan-2-amine
CID 123477104
1,2-bis(2-methylundecan-2-yl)hydrazine
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N-benzyltridecan-1-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylnonan-2-amine?
The IUPAC name of N-benzyl-2-methylnonan-2-amine (CID 54410414) is N-benzyl-2-methylnonan-2-amine.
What is the SMILES notation for N-benzyl-2-methylnonan-2-amine?
The canonical SMILES for N-benzyl-2-methylnonan-2-amine is CCCCCCCC(C)(C)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methylnonan-2-amine?
The InChIKey is VTSORZNABSQQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-5-6-7-11-14-17(2,3)18-15-16-12-9-8-10-13-16/h8-10,12-13,18H,4-7,11,14-15H2,1-3H3.
What are the key properties of N-benzyl-2-methylnonan-2-amine?
N-benzyl-2-methylnonan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylnonan-2-amine is sourced from PubChem (CID 54410414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).