N-(2-methyltridecan-2-yl)aniline

C20H35N — CID 67784312

IUPACN-(2-methyltridecan-2-yl)aniline
SMILESCCCCCCCCCCCC(C)(C)Nc1ccccc1
InChIInChI=1S/C20H35N/c1-4-5-6-7-8-9-10-11-15-18-20(2,3)21-19-16-13-12-14-17-19/h12-14,16-17,21H,4-11,15,18H2,1-3H3
InChIKeyXVUHIIJPTJXKKB-UHFFFAOYSA-N
MW289.51 g/mol
LogP6.80
Rot. Bonds12

About N-(2-methyltridecan-2-yl)aniline

N-(2-methyltridecan-2-yl)aniline (PubChem CID 67784312) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-(2-methyltridecan-2-yl)aniline.

Molecular Properties

Compound NameN-(2-methyltridecan-2-yl)aniline
PubChem CID67784312
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-(2-methyltridecan-2-yl)aniline
SMILESCCCCCCCCCCCC(C)(C)Nc1ccccc1
InChIInChI=1S/C20H35N/c1-4-5-6-7-8-9-10-11-15-18-20(2,3)21-19-16-13-12-14-17-19/h12-14,16-17,21H,4-11,15,18H2,1-3H3
InChIKeyXVUHIIJPTJXKKB-UHFFFAOYSA-N
XLogP6.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.80
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

N-(4-methyldecan-4-yl)aniline
CID 166741267
2-anilino-2-decyltridecanoic acid
CID 139977207
N-benzyl-2-methylnonan-2-amine
CID 54410414
2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine
CID 19606660
methyl 2-anilino-2-methyloctanoate
CID 54890030
N-benzyl-2-methyltridecan-2-amine;hydrochloride
CID 173095705
N-nonadecylaniline
CID 54509054
CID 138976934
CID 138976934
N-heptylaniline;hydrate
CID 174886464
ethyl 2-anilino-2-methylheptanoate
CID 80558019
N-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine
CID 141084626
15-phenylnonacosan-15-ylbenzene
CID 141310981

Frequently Asked Questions

What is the IUPAC name of N-(2-methyltridecan-2-yl)aniline?
The IUPAC name of N-(2-methyltridecan-2-yl)aniline (CID 67784312) is N-(2-methyltridecan-2-yl)aniline.
What is the SMILES notation for N-(2-methyltridecan-2-yl)aniline?
The canonical SMILES for N-(2-methyltridecan-2-yl)aniline is CCCCCCCCCCCC(C)(C)Nc1ccccc1.
What is the InChIKey of N-(2-methyltridecan-2-yl)aniline?
The InChIKey is XVUHIIJPTJXKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-4-5-6-7-8-9-10-11-15-18-20(2,3)21-19-16-13-12-14-17-19/h12-14,16-17,21H,4-11,15,18H2,1-3H3.
What are the key properties of N-(2-methyltridecan-2-yl)aniline?
N-(2-methyltridecan-2-yl)aniline has a molecular weight of 289.51 g/mol, XLogP of 6.80, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyltridecan-2-yl)aniline is sourced from PubChem (CID 67784312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).