N-pentan-2-ylheptan-1-amine

C12H27N — CID 43129169

IUPACN-pentan-2-ylheptan-1-amine
SMILESCCCCCCCNC(C)CCC
InChIInChI=1S/C12H27N/c1-4-6-7-8-9-11-13-12(3)10-5-2/h12-13H,4-11H2,1-3H3
InChIKeyUUQOXNUYUBBIGL-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.73
Rot. Bonds9

About N-pentan-2-ylheptan-1-amine

N-pentan-2-ylheptan-1-amine (PubChem CID 43129169) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-pentan-2-ylheptan-1-amine.

Molecular Properties

Compound NameN-pentan-2-ylheptan-1-amine
PubChem CID43129169
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-pentan-2-ylheptan-1-amine
SMILESCCCCCCCNC(C)CCC
InChIInChI=1S/C12H27N/c1-4-6-7-8-9-11-13-12(3)10-5-2/h12-13H,4-11H2,1-3H3
InChIKeyUUQOXNUYUBBIGL-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-pentan-2-ylheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
3-(octylamino)butan-1-ol
CID 83177243
N-butan-2-yldodecan-1-amine
CID 63489622
N-butan-2-ylundecan-1-amine
CID 151961423
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
N'-dodecan-2-ylpentane-1,5-diamine
CID 175187271
N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine
CID 115712733
N-propylnonan-2-amine
CID 43129664

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-ylheptan-1-amine?
The IUPAC name of N-pentan-2-ylheptan-1-amine (CID 43129169) is N-pentan-2-ylheptan-1-amine.
What is the SMILES notation for N-pentan-2-ylheptan-1-amine?
The canonical SMILES for N-pentan-2-ylheptan-1-amine is CCCCCCCNC(C)CCC.
What is the InChIKey of N-pentan-2-ylheptan-1-amine?
The InChIKey is UUQOXNUYUBBIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-4-6-7-8-9-11-13-12(3)10-5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of N-pentan-2-ylheptan-1-amine?
N-pentan-2-ylheptan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-ylheptan-1-amine is sourced from PubChem (CID 43129169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).