N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine

C13H29N — CID 123293634

IUPACN-methyl-N-(2-methylbutan-2-yl)heptan-2-amine
SMILESCCCCCC(C)N(C)C(C)(C)CC
InChIInChI=1S/C13H29N/c1-7-9-10-11-12(3)14(6)13(4,5)8-2/h12H,7-11H2,1-6H3
InChIKeyLJKGPWVSGVTHQV-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.08
Rot. Bonds7

About N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine

N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine (PubChem CID 123293634) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)heptan-2-amine
PubChem CID123293634
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)heptan-2-amine
SMILESCCCCCC(C)N(C)C(C)(C)CC
InChIInChI=1S/C13H29N/c1-7-9-10-11-12(3)14(6)13(4,5)8-2/h12H,7-11H2,1-6H3
InChIKeyLJKGPWVSGVTHQV-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.08
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

2,2-dimethylpropane;ethane;2-methylheptane
CID 143493212
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
hexane;2-methylpentane
CID 19835603
3-ethyl-4-methyldodecan-3-ol
CID 173066950
N,N-di(tridecan-2-yl)tridecan-2-amine
CID 87098451
N,N-di(nonadecan-2-yl)nonadecan-2-amine
CID 19594136
1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol
CID 89315148
2-methyldecane
CID 23415
2-methyloctacosane
CID 519147
mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
CID 90745672
bis(2-methylheptane);propane
CID 158714851

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine (CID 123293634) is N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine is CCCCCC(C)N(C)C(C)(C)CC.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine?
The InChIKey is LJKGPWVSGVTHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-9-10-11-12(3)14(6)13(4,5)8-2/h12H,7-11H2,1-6H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine?
N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine is sourced from PubChem (CID 123293634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).