4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine

C13H27N — CID 134187379

IUPAC4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine
SMILESC=C(CC(C)(C)C)NC(C)C(C)CC
InChIInChI=1S/C13H27N/c1-8-10(2)12(4)14-11(3)9-13(5,6)7/h10,12,14H,3,8-9H2,1-2,4-7H3
InChIKeyKJJJCXAFDDJIHI-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.96
Rot. Bonds5

About 4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine

4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine (PubChem CID 134187379) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine
PubChem CID134187379
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine
SMILESC=C(CC(C)(C)C)NC(C)C(C)CC
InChIInChI=1S/C13H27N/c1-8-10(2)12(4)14-11(3)9-13(5,6)7/h10,12,14H,3,8-9H2,1-2,4-7H3
InChIKeyKJJJCXAFDDJIHI-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine?
The IUPAC name of 4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine (CID 134187379) is 4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine.
What is the SMILES notation for 4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine?
The canonical SMILES for 4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine is C=C(CC(C)(C)C)NC(C)C(C)CC.
What is the InChIKey of 4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine?
The InChIKey is KJJJCXAFDDJIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-8-10(2)12(4)14-11(3)9-13(5,6)7/h10,12,14H,3,8-9H2,1-2,4-7H3.
What are the key properties of 4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine?
4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(3-methylpentan-2-yl)pent-1-en-2-amine is sourced from PubChem (CID 134187379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).