2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol

C16H29NO — CID 102952299

IUPAC2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol
SMILESOC1CCCCCC1NC1CCC12CCCCC2
InChIInChI=1S/C16H29NO/c18-14-8-4-1-3-7-13(14)17-15-9-12-16(15)10-5-2-6-11-16/h13-15,17-18H,1-12H2
InChIKeyXXQRYGRZNGOSBD-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.38
Rot. Bonds2

About 2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol

2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol (PubChem CID 102952299) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol
PubChem CID102952299
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol
SMILESOC1CCCCCC1NC1CCC12CCCCC2
InChIInChI=1S/C16H29NO/c18-14-8-4-1-3-7-13(14)17-15-9-12-16(15)10-5-2-6-11-16/h13-15,17-18H,1-12H2
InChIKeyXXQRYGRZNGOSBD-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(spiro[3.5]nonan-3-ylamino)cycloheptan-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

2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol
CID 102731420
2-[(2,2-dimethylcyclopentyl)amino]cycloheptan-1-ol
CID 79861277
trans-(1R,2R)-2-[(2,2-dimethylcyclobutyl)amino]cyclopentan-1-ol
CID 122235783
[2-(spiro[5.5]undecan-5-ylamino)cyclopentyl]methanol
CID 86815287
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine
CID 130618858
2-methyl-N-spiro[3.5]nonan-3-yloxolan-3-amine
CID 102952252
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
N-methylspiro[3.5]nonan-3-amine
CID 102951104
2-[(4,4-dimethylcycloheptyl)amino]cyclohexan-1-ol
CID 65083758

Frequently Asked Questions

What is the IUPAC name of 2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol?
The IUPAC name of 2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol (CID 102952299) is 2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol.
What is the SMILES notation for 2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol?
The canonical SMILES for 2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol is OC1CCCCCC1NC1CCC12CCCCC2.
What is the InChIKey of 2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol?
The InChIKey is XXQRYGRZNGOSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c18-14-8-4-1-3-7-13(14)17-15-9-12-16(15)10-5-2-6-11-16/h13-15,17-18H,1-12H2.
What are the key properties of 2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol?
2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol is sourced from PubChem (CID 102952299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).