2-(2-cycloheptylethylamino)propan-1-ol

C12H25NO — CID 56854236

IUPAC2-(2-cycloheptylethylamino)propan-1-ol
SMILESCC(CO)NCCC1CCCCCC1
InChIInChI=1S/C12H25NO/c1-11(10-14)13-9-8-12-6-4-2-3-5-7-12/h11-14H,2-10H2,1H3
InChIKeyICRUUBPMFYXHQC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds5

About 2-(2-cycloheptylethylamino)propan-1-ol

2-(2-cycloheptylethylamino)propan-1-ol (PubChem CID 56854236) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(2-cycloheptylethylamino)propan-1-ol.

Molecular Properties

Compound Name2-(2-cycloheptylethylamino)propan-1-ol
PubChem CID56854236
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(2-cycloheptylethylamino)propan-1-ol
SMILESCC(CO)NCCC1CCCCCC1
InChIInChI=1S/C12H25NO/c1-11(10-14)13-9-8-12-6-4-2-3-5-7-12/h11-14H,2-10H2,1H3
InChIKeyICRUUBPMFYXHQC-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(2-cycloheptylethylamino)butan-1-ol
CID 28957329
N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine
CID 64630559
N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine
CID 115708422
(2S)-2-(4-cyclohexylbutan-2-ylamino)propan-1-ol
CID 103788986
N-(2-cyclopentylethyl)propan-2-amine;molecular hydrogen
CID 165122655
3-(2-cyclopropylethylamino)butan-1-ol
CID 83178015
N-(2-cyclopentylethyl)-3-methylbutan-2-amine
CID 60920356
(2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid
CID 150887709
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
3-(2-cyclopentylethylamino)-N,N-dimethylbutanamide
CID 115708191
N-(2-cyclobutylethyl)-4,4,4-trifluorobutan-2-amine
CID 115893436
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429

Frequently Asked Questions

What is the IUPAC name of 2-(2-cycloheptylethylamino)propan-1-ol?
The IUPAC name of 2-(2-cycloheptylethylamino)propan-1-ol (CID 56854236) is 2-(2-cycloheptylethylamino)propan-1-ol.
What is the SMILES notation for 2-(2-cycloheptylethylamino)propan-1-ol?
The canonical SMILES for 2-(2-cycloheptylethylamino)propan-1-ol is CC(CO)NCCC1CCCCCC1.
What is the InChIKey of 2-(2-cycloheptylethylamino)propan-1-ol?
The InChIKey is ICRUUBPMFYXHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(10-14)13-9-8-12-6-4-2-3-5-7-12/h11-14H,2-10H2,1H3.
What are the key properties of 2-(2-cycloheptylethylamino)propan-1-ol?
2-(2-cycloheptylethylamino)propan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cycloheptylethylamino)propan-1-ol is sourced from PubChem (CID 56854236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).