2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine

C14H31N — CID 107889329

IUPAC2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine
SMILESCCCC(C)C(C)C(C)CNCC(C)C
InChIInChI=1S/C14H31N/c1-7-8-12(4)14(6)13(5)10-15-9-11(2)3/h11-15H,7-10H2,1-6H3
InChIKeyAXPQLMIKLXMJNG-UHFFFAOYSA-N
MW213.41 g/mol
LogP3.94
Rot. Bonds8

About 2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine

2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine (PubChem CID 107889329) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine.

Molecular Properties

Compound Name2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine
PubChem CID107889329
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine
SMILESCCCC(C)C(C)C(C)CNCC(C)C
InChIInChI=1S/C14H31N/c1-7-8-12(4)14(6)13(5)10-15-9-11(2)3/h11-15H,7-10H2,1-6H3
InChIKeyAXPQLMIKLXMJNG-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 175939227
CID 175939227
2,3-dimethyl-N-(2-methylpropyl)undecan-1-amine
CID 81016736
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
2,3,4-trimethyl-N-(2,3,4-trimethylpentyl)pentan-1-amine
CID 19083260
2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine
CID 81015110
N-(2-methylpropyl)-2-propylheptan-1-amine
CID 63523290
N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine
CID 59084993
2-methyl-N-propylpropan-1-amine
CID 520943
3-N,2-dimethyl-3-N-(4-methylpentan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019594
2-ethyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63520986
2-tert-butyl-N-(2-methylpropyl)hexan-1-amine
CID 83138560
2-(ethoxymethyl)-N-(2-methylpropyl)pentan-1-amine
CID 103984246

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine?
The IUPAC name of 2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine (CID 107889329) is 2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine.
What is the SMILES notation for 2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine?
The canonical SMILES for 2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine is CCCC(C)C(C)C(C)CNCC(C)C.
What is the InChIKey of 2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine?
The InChIKey is AXPQLMIKLXMJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-7-8-12(4)14(6)13(5)10-15-9-11(2)3/h11-15H,7-10H2,1-6H3.
What are the key properties of 2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine?
2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine is sourced from PubChem (CID 107889329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).