1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine

C18H37N3 — CID 63275821

IUPAC1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCCNC1CCC(C(C)C)CC1N(C)CC1CCN(C)C1
InChIInChI=1S/C18H37N3/c1-6-19-17-8-7-16(14(2)3)11-18(17)21(5)13-15-9-10-20(4)12-15/h14-19H,6-13H2,1-5H3
InChIKeyCFYGSBXEKGPLTR-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.67
Rot. Bonds6

About 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine

1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 63275821) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine
PubChem CID63275821
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCCNC1CCC(C(C)C)CC1N(C)CC1CCN(C)C1
InChIInChI=1S/C18H37N3/c1-6-19-17-8-7-16(14(2)3)11-18(17)21(5)13-15-9-10-20(4)12-15/h14-19H,6-13H2,1-5H3
InChIKeyCFYGSBXEKGPLTR-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
CID 63206785
2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine
CID 63468159
2-N-(cyclohexylmethyl)-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469233
3-N-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine
CID 79617842
N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63274181
2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 79828545
N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448296
4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine
CID 63233434
N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708674
N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55170284
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine
CID 63275645
2-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63494522

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine (CID 63275821) is 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine is CCNC1CCC(C(C)C)CC1N(C)CC1CCN(C)C1.
What is the InChIKey of 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is CFYGSBXEKGPLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-6-19-17-8-7-16(14(2)3)11-18(17)21(5)13-15-9-10-20(4)12-15/h14-19H,6-13H2,1-5H3.
What are the key properties of 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine?
1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 295.52 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 63275821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).