3-(methylamino)heptan-1-ol

C8H19NO — CID 13033821

IUPAC3-(methylamino)heptan-1-ol
SMILESCCCCC(CCO)NC
InChIInChI=1S/C8H19NO/c1-3-4-5-8(9-2)6-7-10/h8-10H,3-7H2,1-2H3
InChIKeyNVNYTIOFBAMXPS-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.15
Rot. Bonds6

About 3-(methylamino)heptan-1-ol

3-(methylamino)heptan-1-ol (PubChem CID 13033821) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-(methylamino)heptan-1-ol.

Molecular Properties

Compound Name3-(methylamino)heptan-1-ol
PubChem CID13033821
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-(methylamino)heptan-1-ol
SMILESCCCCC(CCO)NC
InChIInChI=1S/C8H19NO/c1-3-4-5-8(9-2)6-7-10/h8-10H,3-7H2,1-2H3
InChIKeyNVNYTIOFBAMXPS-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(methylamino)heptan-1-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

3-(methylamino)nonan-1-ol
CID 65235222
N-methylheptadecan-9-amine;hydrochloride
CID 175813537
2-(methylamino)hexadecan-1-ol
CID 118696061
3-(1-hydroxyoctadecan-3-ylamino)octadecan-1-ol
CID 23169302
N-methylundecan-4-amine
CID 60996531
3-(hexan-2-ylamino)-4-methylsulfanylbutan-1-ol
CID 115723205
3-[4-(methylamino)hexylsulfanyl]butan-1-ol
CID 106808476
N-methyl-1-methylsulfonylheptan-3-amine
CID 79405764
3-(methylamino)heptanamide
CID 65236742
3-(propylamino)dodecan-1-ol
CID 114078400
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
3-(1-methoxyhexan-2-ylamino)-4-methylsulfanylbutan-1-ol
CID 115723206

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)heptan-1-ol?
The IUPAC name of 3-(methylamino)heptan-1-ol (CID 13033821) is 3-(methylamino)heptan-1-ol.
What is the SMILES notation for 3-(methylamino)heptan-1-ol?
The canonical SMILES for 3-(methylamino)heptan-1-ol is CCCCC(CCO)NC.
What is the InChIKey of 3-(methylamino)heptan-1-ol?
The InChIKey is NVNYTIOFBAMXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-4-5-8(9-2)6-7-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(methylamino)heptan-1-ol?
3-(methylamino)heptan-1-ol has a molecular weight of 145.25 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)heptan-1-ol is sourced from PubChem (CID 13033821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).