5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol

C14H31NO — CID 115891878

IUPAC5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol
SMILESCCCCC(CC)NCC(C)(C)CC(C)O
InChIInChI=1S/C14H31NO/c1-6-8-9-13(7-2)15-11-14(4,5)10-12(3)16/h12-13,15-16H,6-11H2,1-5H3
InChIKeyDLMWGEPXAISMSK-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.34
Rot. Bonds9

About 5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol

5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol (PubChem CID 115891878) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol
PubChem CID115891878
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol
SMILESCCCCC(CC)NCC(C)(C)CC(C)O
InChIInChI=1S/C14H31NO/c1-6-8-9-13(7-2)15-11-14(4,5)10-12(3)16/h12-13,15-16H,6-11H2,1-5H3
InChIKeyDLMWGEPXAISMSK-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol 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

1-[[(3R)-heptan-3-yl]amino]-2-methylpropan-2-ol
CID 96936020
3-(heptan-3-ylamino)-2,2-dimethylpropanenitrile
CID 104720351
4,4-dimethyldecan-2-ol
CID 19931322
2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61352156
4,4-dimethyl-5-(undecan-6-ylamino)pentan-1-ol
CID 106144836
tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate
CID 103901691
N-pentylheptan-3-amine
CID 63944300
N-ethylnonan-3-amine
CID 60996683
(2R)-1-(nonadecan-10-ylamino)propan-2-ol
CID 98515290
N-prop-2-enylheptan-3-amine
CID 63946261
1-(octan-4-ylamino)propan-2-ol
CID 103775311
N-heptan-3-ylthiohydroxylamine
CID 89209295

Frequently Asked Questions

What is the IUPAC name of 5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol?
The IUPAC name of 5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol (CID 115891878) is 5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol is CCCCC(CC)NCC(C)(C)CC(C)O.
What is the InChIKey of 5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol?
The InChIKey is DLMWGEPXAISMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-8-9-13(7-2)15-11-14(4,5)10-12(3)16/h12-13,15-16H,6-11H2,1-5H3.
What are the key properties of 5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol?
5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol has a molecular weight of 229.41 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(heptan-3-ylamino)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 115891878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).