[1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol

C15H28N2O — CID 81419732

IUPAC[1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNC2CCN(C3CC3)C2)CCCCC1
InChIInChI=1S/C15H28N2O/c18-12-15(7-2-1-3-8-15)11-16-13-6-9-17(10-13)14-4-5-14/h13-14,16,18H,1-12H2
InChIKeyKHVVZWBICUSAGD-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.76
Rot. Bonds5

About [1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol

[1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 81419732) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol
PubChem CID81419732
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNC2CCN(C3CC3)C2)CCCCC1
InChIInChI=1S/C15H28N2O/c18-12-15(7-2-1-3-8-15)11-16-13-6-9-17(10-13)14-4-5-14/h13-14,16,18H,1-12H2
InChIKeyKHVVZWBICUSAGD-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-N-[(1-cyclopropylcyclopropyl)methyl]pyrrolidin-3-amine
CID 103904159
N-[(1-aminocyclopropyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 65459112
[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 81412863
1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone
CID 113293617
[1-[[(1-propylpiperidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115358675
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 104678068
[1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexyl]methanol
CID 103965937
[1-[[(1-oxothian-4-yl)amino]methyl]cyclohexyl]methanol
CID 113359582
2-[(1-cyclohexylpyrrolidin-3-yl)amino]acetic acid
CID 117004164
1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119864838
[1-[(thian-3-ylamino)methyl]cyclohexyl]methanol
CID 103966001
[1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 81435372

Frequently Asked Questions

What is the IUPAC name of [1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol (CID 81419732) is [1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol is OCC1(CNC2CCN(C3CC3)C2)CCCCC1.
What is the InChIKey of [1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is KHVVZWBICUSAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c18-12-15(7-2-1-3-8-15)11-16-13-6-9-17(10-13)14-4-5-14/h13-14,16,18H,1-12H2.
What are the key properties of [1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 252.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81419732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).