3-(cycloheptylamino)propan-1-ol

C10H21NO — CID 12687377

IUPAC3-(cycloheptylamino)propan-1-ol
SMILESOCCCNC1CCCCCC1
InChIInChI=1S/C10H21NO/c12-9-5-8-11-10-6-3-1-2-4-7-10/h10-12H,1-9H2
InChIKeyOXYJOLIHFRNKIB-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.68
Rot. Bonds4

About 3-(cycloheptylamino)propan-1-ol

3-(cycloheptylamino)propan-1-ol (PubChem CID 12687377) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(cycloheptylamino)propan-1-ol.

Molecular Properties

Compound Name3-(cycloheptylamino)propan-1-ol
PubChem CID12687377
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(cycloheptylamino)propan-1-ol
SMILESOCCCNC1CCCCCC1
InChIInChI=1S/C10H21NO/c12-9-5-8-11-10-6-3-1-2-4-7-10/h10-12H,1-9H2
InChIKeyOXYJOLIHFRNKIB-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Cyclohexylamino)propan-1-ol hydrochloride
CID 23075591
2-Cycloheptylamino-ethanol
CID 12217891
3-(Nonylamino)propan-1-ol
CID 20249758
3-(Cyclohexylamino)propan-1-ol
CID 35737
3-(Decylamino)propan-1-ol
CID 110621
3-(Nonan-2-ylamino)propan-1-ol
CID 278945
N-(3-methoxypropyl)cycloheptanamine
CID 28673224
3-(Cycloheptylamino)-2,2-difluoropropan-1-ol
CID 104857454
2,2-Difluoro-3-(heptan-3-ylamino)propan-1-ol
CID 104860428
2,2-Difluoro-3-(heptan-2-ylamino)propan-1-ol
CID 104860614
3-(Cyclododecylamino)-2,2-difluoropropan-1-ol
CID 106172898
3-[(4-Fluorocyclohexyl)amino]propan-1-ol
CID 129320214

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)propan-1-ol?
The IUPAC name of 3-(cycloheptylamino)propan-1-ol (CID 12687377) is 3-(cycloheptylamino)propan-1-ol.
What is the SMILES notation for 3-(cycloheptylamino)propan-1-ol?
The canonical SMILES for 3-(cycloheptylamino)propan-1-ol is OCCCNC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylamino)propan-1-ol?
The InChIKey is OXYJOLIHFRNKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c12-9-5-8-11-10-6-3-1-2-4-7-10/h10-12H,1-9H2.
What are the key properties of 3-(cycloheptylamino)propan-1-ol?
3-(cycloheptylamino)propan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)propan-1-ol is sourced from PubChem (CID 12687377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).