N-pentyloctan-4-amine

C13H29N — CID 106023306

IUPACN-pentyloctan-4-amine
SMILESCCCCCNC(CCC)CCCC
InChIInChI=1S/C13H29N/c1-4-7-9-12-14-13(10-6-3)11-8-5-2/h13-14H,4-12H2,1-3H3
InChIKeyGWHWZVXQRCTBKU-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.13
Rot. Bonds10

About N-pentyloctan-4-amine

N-pentyloctan-4-amine (PubChem CID 106023306) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-pentyloctan-4-amine.

Molecular Properties

Compound NameN-pentyloctan-4-amine
PubChem CID106023306
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-pentyloctan-4-amine
SMILESCCCCCNC(CCC)CCCC
InChIInChI=1S/C13H29N/c1-4-7-9-12-14-13(10-6-3)11-8-5-2/h13-14H,4-12H2,1-3H3
InChIKeyGWHWZVXQRCTBKU-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pentylheptan-3-amine
CID 63944300
N-hexan-3-ylhexan-1-amine
CID 62117591
2-(hexylamino)pentan-1-ol
CID 155661034
4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine
CID 14837601
N-(3-butoxypropyl)heptan-4-amine
CID 115676243
N-tridecylpentadecan-3-amine
CID 88820168
5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
CID 15272899
6-[12-(6-hydroxyhexylamino)hexadecan-5-ylamino]hexan-1-ol
CID 11798078
N'-hydroxy-5-(octan-4-ylamino)pentanimidamide
CID 114137651
3-(octan-4-ylamino)propanenitrile
CID 107168012
N-ethylhexadecan-4-amine
CID 63413885
3-(octadecylamino)pentane-1,5-diol;hydrochloride
CID 173050552

Frequently Asked Questions

What is the IUPAC name of N-pentyloctan-4-amine?
The IUPAC name of N-pentyloctan-4-amine (CID 106023306) is N-pentyloctan-4-amine.
What is the SMILES notation for N-pentyloctan-4-amine?
The canonical SMILES for N-pentyloctan-4-amine is CCCCCNC(CCC)CCCC.
What is the InChIKey of N-pentyloctan-4-amine?
The InChIKey is GWHWZVXQRCTBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-4-7-9-12-14-13(10-6-3)11-8-5-2/h13-14H,4-12H2,1-3H3.
What are the key properties of N-pentyloctan-4-amine?
N-pentyloctan-4-amine has a molecular weight of 199.38 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyloctan-4-amine is sourced from PubChem (CID 106023306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).