2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol

C14H28N2O — CID 79549663

IUPAC2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol
SMILESCC(CO)CNC1CCCCC1C1CCCN1
InChIInChI=1S/C14H28N2O/c1-11(10-17)9-16-14-6-3-2-5-12(14)13-7-4-8-15-13/h11-17H,2-10H2,1H3
InChIKeyMYTMSGOBMZFKGO-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.52
Rot. Bonds5

About 2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol

2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol (PubChem CID 79549663) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol
PubChem CID79549663
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol
SMILESCC(CO)CNC1CCCCC1C1CCCN1
InChIInChI=1S/C14H28N2O/c1-11(10-17)9-16-14-6-3-2-5-12(14)13-7-4-8-15-13/h11-17H,2-10H2,1H3
InChIKeyMYTMSGOBMZFKGO-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544832
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543604
1-cyclopropyl-2-[(2-piperidin-2-ylcyclohexyl)amino]ethanol
CID 79552815
2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol
CID 79545851
2-N,2-N,3-trimethyl-1-N-(2-piperidin-2-ylcyclohexyl)butane-1,2-diamine
CID 79540120
5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pentan-2-ol
CID 106122125
1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol
CID 79544808
N-(2-methylprop-2-enyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 114615679
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478
(2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol
CID 79544884
2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol
CID 106251596
N-(2-phenylpropyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543423

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol (CID 79549663) is 2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol is CC(CO)CNC1CCCCC1C1CCCN1.
What is the InChIKey of 2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol?
The InChIKey is MYTMSGOBMZFKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(10-17)9-16-14-6-3-2-5-12(14)13-7-4-8-15-13/h11-17H,2-10H2,1H3.
What are the key properties of 2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol?
2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 79549663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).