2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol

C16H31NO — CID 81392910

IUPAC2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol
SMILESC[C@@H](NC1CCCCCC1O)C1CCCCCC1
InChIInChI=1S/C16H31NO/c1-13(14-9-5-2-3-6-10-14)17-15-11-7-4-8-12-16(15)18/h13-18H,2-12H2,1H3/t13-,15?,16?/m1/s1
InChIKeyFOGCSVUZBMUXIZ-IUDNXUCKSA-N
MW253.43 g/mol
LogP3.63
Rot. Bonds3

About 2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol

2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol (PubChem CID 81392910) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol
PubChem CID81392910
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol
SMILESC[C@@H](NC1CCCCCC1O)C1CCCCCC1
InChIInChI=1S/C16H31NO/c1-13(14-9-5-2-3-6-10-14)17-15-11-7-4-8-12-16(15)18/h13-18H,2-12H2,1H3/t13-,15?,16?/m1/s1
InChIKeyFOGCSVUZBMUXIZ-IUDNXUCKSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-cyclopentylethyl]amino]cycloheptan-1-ol
CID 81395053
trans-(1S,2S)-2-[[(1R)-1-cyclopentylethyl]amino]cyclopentan-1-ol
CID 102733833
trans-(1R,2R)-2-[[(1S)-1-cyclopropylethyl]amino]cyclohexan-1-ol
CID 124679605
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
trans-(1R,2R)-2-(1-cyclopropylethylamino)cyclobutan-1-ol
CID 130608509
N-[(1R)-1-cyclohexylethyl]-2-methylcyclohexan-1-amine
CID 81384477
trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol
CID 130690757
4-[[(1R)-1-cyclopentylethyl]amino]oxolan-3-ol
CID 81394183
N-[(1S)-1-cyclohexylethyl]-2-methylcyclopentan-1-amine
CID 81387266
N-[(1S)-1-cycloheptylethyl]-2-methylcyclopentan-1-amine
CID 81391283
N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81384891
N-(1-cyclopentylethyl)-2-methylcyclohexan-1-amine
CID 62631533

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol?
The IUPAC name of 2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol (CID 81392910) is 2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol?
The canonical SMILES for 2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol is C[C@@H](NC1CCCCCC1O)C1CCCCCC1.
What is the InChIKey of 2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol?
The InChIKey is FOGCSVUZBMUXIZ-IUDNXUCKSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(14-9-5-2-3-6-10-14)17-15-11-7-4-8-12-16(15)18/h13-18H,2-12H2,1H3/t13-,15?,16?/m1/s1.
What are the key properties of 2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol?
2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol is sourced from PubChem (CID 81392910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).