N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine

C13H29N — CID 62528910

IUPACN,4-dimethyl-2-(2-methylpropyl)heptan-1-amine
SMILESCCCC(C)CC(CNC)CC(C)C
InChIInChI=1S/C13H29N/c1-6-7-12(4)9-13(10-14-5)8-11(2)3/h11-14H,6-10H2,1-5H3
InChIKeyGJRKWJJDVKSNAC-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.69
Rot. Bonds8

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

N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine (PubChem CID 62528910) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-(2-methylpropyl)heptan-1-amine
PubChem CID62528910
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,4-dimethyl-2-(2-methylpropyl)heptan-1-amine
SMILESCCCC(C)CC(CNC)CC(C)C
InChIInChI=1S/C13H29N/c1-6-7-12(4)9-13(10-14-5)8-11(2)3/h11-14H,6-10H2,1-5H3
InChIKeyGJRKWJJDVKSNAC-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-dimethyl-2-(2-methylpropyl)pentan-1-amine
CID 62530298
N,2-dimethyl-4-propylheptan-1-amine
CID 142144004
N-methyl-2-(2-methylpropyl)nonan-1-amine
CID 63496028
2-ethyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63520986
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
2,4,6,8,10-pentamethyltridecane
CID 20715673
N,4-dimethyl-2-(2-propylsulfonylethyl)pentan-1-amine
CID 106729640
2-(2-ethoxyethyl)-N,4-dimethylpentan-1-amine
CID 62528504
2,4-dimethyl-6-propylnonane
CID 57492214
(2S)-N,2,4-trimethylpentan-1-amine
CID 90327710
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine?
The IUPAC name of N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine (CID 62528910) is N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine?
The canonical SMILES for N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine is CCCC(C)CC(CNC)CC(C)C.
What is the InChIKey of N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine?
The InChIKey is GJRKWJJDVKSNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-7-12(4)9-13(10-14-5)8-11(2)3/h11-14H,6-10H2,1-5H3.
What are the key properties of N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine?
N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine is sourced from PubChem (CID 62528910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).