1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol

C15H31N3O — CID 117039426

IUPAC1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol
SMILESCN1CCC(CCN(C)C2CCC(O)(CN)CC2)C1
InChIInChI=1S/C15H31N3O/c1-17-9-5-13(11-17)6-10-18(2)14-3-7-15(19,12-16)8-4-14/h13-14,19H,3-12,16H2,1-2H3
InChIKeyFILGGZVLSAHUSV-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.89
Rot. Bonds5

About 1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol

1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol (PubChem CID 117039426) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol
PubChem CID117039426
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol
SMILESCN1CCC(CCN(C)C2CCC(O)(CN)CC2)C1
InChIInChI=1S/C15H31N3O/c1-17-9-5-13(11-17)6-10-18(2)14-3-7-15(19,12-16)8-4-14/h13-14,19H,3-12,16H2,1-2H3
InChIKeyFILGGZVLSAHUSV-UHFFFAOYSA-N
XLogP0.89
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexane-1-carbonitrile
CID 117039576
1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol
CID 117039414
N,2,2-trimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidin-4-amine
CID 115145636
N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine
CID 116679267
2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
CID 115224443
2-methyl-2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propan-1-ol
CID 115133719
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine
CID 62977792
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]carbamoyl chloride
CID 115195122
1-(aminomethyl)-4-[methyl(2-pyridin-2-ylethyl)amino]cyclohexan-1-ol
CID 117039421
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 115453628
2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115152814
5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one
CID 115236802

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol (CID 117039426) is 1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol is CN1CCC(CCN(C)C2CCC(O)(CN)CC2)C1.
What is the InChIKey of 1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol?
The InChIKey is FILGGZVLSAHUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-17-9-5-13(11-17)6-10-18(2)14-3-7-15(19,12-16)8-4-14/h13-14,19H,3-12,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol?
1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 117039426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).