1-cyclopentyl-2-(heptan-4-ylamino)ethanol

C14H29NO — CID 115677140

IUPAC1-cyclopentyl-2-(heptan-4-ylamino)ethanol
SMILESCCCC(CCC)NCC(O)C1CCCC1
InChIInChI=1S/C14H29NO/c1-3-7-13(8-4-2)15-11-14(16)12-9-5-6-10-12/h12-16H,3-11H2,1-2H3
InChIKeyFTQYCZMAAIYJOE-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.10
Rot. Bonds8

About 1-cyclopentyl-2-(heptan-4-ylamino)ethanol

1-cyclopentyl-2-(heptan-4-ylamino)ethanol (PubChem CID 115677140) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-(heptan-4-ylamino)ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-(heptan-4-ylamino)ethanol
PubChem CID115677140
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-cyclopentyl-2-(heptan-4-ylamino)ethanol
SMILESCCCC(CCC)NCC(O)C1CCCC1
InChIInChI=1S/C14H29NO/c1-3-7-13(8-4-2)15-11-14(16)12-9-5-6-10-12/h12-16H,3-11H2,1-2H3
InChIKeyFTQYCZMAAIYJOE-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(hexan-3-ylamino)ethanol
CID 115906323
2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol
CID 115906358
2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid
CID 69166197
1-cyclopropyl-2-(pentan-3-ylamino)ethanol
CID 63294536
1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol
CID 115716443
1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol
CID 115716454
1-(1-cyclopentylethylamino)pentan-2-ol
CID 115719405
1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol
CID 106024420
2-cycloheptyl-N-methylpentan-1-amine
CID 82932063
1-(4-propan-2-ylcycloheptyl)butan-1-ol
CID 83050929
(1R)-1-cyclopentylpropan-1-ol;sulfane
CID 161153256
ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate
CID 64668765

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(heptan-4-ylamino)ethanol?
The IUPAC name of 1-cyclopentyl-2-(heptan-4-ylamino)ethanol (CID 115677140) is 1-cyclopentyl-2-(heptan-4-ylamino)ethanol.
What is the SMILES notation for 1-cyclopentyl-2-(heptan-4-ylamino)ethanol?
The canonical SMILES for 1-cyclopentyl-2-(heptan-4-ylamino)ethanol is CCCC(CCC)NCC(O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(heptan-4-ylamino)ethanol?
The InChIKey is FTQYCZMAAIYJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-7-13(8-4-2)15-11-14(16)12-9-5-6-10-12/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-(heptan-4-ylamino)ethanol?
1-cyclopentyl-2-(heptan-4-ylamino)ethanol has a molecular weight of 227.39 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(heptan-4-ylamino)ethanol is sourced from PubChem (CID 115677140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).