2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol

C14H28N2O — CID 79545851

IUPAC2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol
SMILESCCC(CO)NC1CCCCC1C1CCCN1
InChIInChI=1S/C14H28N2O/c1-2-11(10-17)16-14-7-4-3-6-12(14)13-8-5-9-15-13/h11-17H,2-10H2,1H3
InChIKeyLWDUADMKYUVWEC-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.66
Rot. Bonds5

About 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol

2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol (PubChem CID 79545851) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol
PubChem CID79545851
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol
SMILESCCC(CO)NC1CCCCC1C1CCCN1
InChIInChI=1S/C14H28N2O/c1-2-11(10-17)16-14-7-4-3-6-12(14)13-8-5-9-15-13/h11-17H,2-10H2,1H3
InChIKeyLWDUADMKYUVWEC-UHFFFAOYSA-N
XLogP1.66
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-piperidin-2-ylcyclopentyl)amino]pentan-1-ol
CID 113495583
N-hexan-3-yl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553740
4-methoxy-2-[(2-pyrrolidin-2-ylcyclopentyl)amino]butan-1-ol
CID 114210348
N-(1-cyclohexylpropyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544436
(2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol
CID 79544884
N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine
CID 106224436
N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine
CID 106023087
2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol
CID 79549663
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478
2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol
CID 65313032
2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol
CID 106251596
N-ethyl-N-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]propanamide
CID 103107021

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol?
The IUPAC name of 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol (CID 79545851) is 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol.
What is the SMILES notation for 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol?
The canonical SMILES for 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol is CCC(CO)NC1CCCCC1C1CCCN1.
What is the InChIKey of 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol?
The InChIKey is LWDUADMKYUVWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-11(10-17)16-14-7-4-3-6-12(14)13-8-5-9-15-13/h11-17H,2-10H2,1H3.
What are the key properties of 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol?
2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol is sourced from PubChem (CID 79545851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).