4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol

C15H30N2O — CID 79315635

IUPAC4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol
SMILESCN1CCCC1CN(C)C1CC(C)(C)CCC1O
InChIInChI=1S/C15H30N2O/c1-15(2)8-7-14(18)13(10-15)17(4)11-12-6-5-9-16(12)3/h12-14,18H,5-11H2,1-4H3
InChIKeyJRCLDELDYDNWOH-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.95
Rot. Bonds3

About 4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol

4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol (PubChem CID 79315635) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol
PubChem CID79315635
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol
SMILESCN1CCCC1CN(C)C1CC(C)(C)CCC1O
InChIInChI=1S/C15H30N2O/c1-15(2)8-7-14(18)13(10-15)17(4)11-12-6-5-9-16(12)3/h12-14,18H,5-11H2,1-4H3
InChIKeyJRCLDELDYDNWOH-UHFFFAOYSA-N
XLogP1.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentan-1-ol
CID 79857164
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 79318444
2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 81005238
2-N-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopentane-1,2-diamine
CID 79313963
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089
[1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol
CID 79644725
[1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol
CID 79640639
[1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentyl]methanol
CID 79644475
1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine
CID 79304256
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine
CID 79313962
1-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 79314821
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-4-propylcyclohexane-1-carboxylic acid
CID 79311839

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol (CID 79315635) is 4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol is CN1CCCC1CN(C)C1CC(C)(C)CCC1O.
What is the InChIKey of 4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol?
The InChIKey is JRCLDELDYDNWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2)8-7-14(18)13(10-15)17(4)11-12-6-5-9-16(12)3/h12-14,18H,5-11H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol?
4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 79315635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).