N-(4-methylpentan-2-yl)heptan-4-amine

C13H29N — CID 43371859

IUPACN-(4-methylpentan-2-yl)heptan-4-amine
SMILESCCCC(CCC)NC(C)CC(C)C
InChIInChI=1S/C13H29N/c1-6-8-13(9-7-2)14-12(5)10-11(3)4/h11-14H,6-10H2,1-5H3
InChIKeyDDENOIHWQDZHPP-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds8

About N-(4-methylpentan-2-yl)heptan-4-amine

N-(4-methylpentan-2-yl)heptan-4-amine (PubChem CID 43371859) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)heptan-4-amine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)heptan-4-amine
PubChem CID43371859
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-(4-methylpentan-2-yl)heptan-4-amine
SMILESCCCC(CCC)NC(C)CC(C)C
InChIInChI=1S/C13H29N/c1-6-8-13(9-7-2)14-12(5)10-11(3)4/h11-14H,6-10H2,1-5H3
InChIKeyDDENOIHWQDZHPP-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)heptan-4-amine?
The IUPAC name of N-(4-methylpentan-2-yl)heptan-4-amine (CID 43371859) is N-(4-methylpentan-2-yl)heptan-4-amine.
What is the SMILES notation for N-(4-methylpentan-2-yl)heptan-4-amine?
The canonical SMILES for N-(4-methylpentan-2-yl)heptan-4-amine is CCCC(CCC)NC(C)CC(C)C.
What is the InChIKey of N-(4-methylpentan-2-yl)heptan-4-amine?
The InChIKey is DDENOIHWQDZHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-8-13(9-7-2)14-12(5)10-11(3)4/h11-14H,6-10H2,1-5H3.
What are the key properties of N-(4-methylpentan-2-yl)heptan-4-amine?
N-(4-methylpentan-2-yl)heptan-4-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)heptan-4-amine is sourced from PubChem (CID 43371859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).