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

C15H31N3 — CID 63275638

IUPAC4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(C)CC2CCN(C)C2)C1
InChIInChI=1S/C15H31N3/c1-4-12-5-6-14(16)15(9-12)18(3)11-13-7-8-17(2)10-13/h12-15H,4-11,16H2,1-3H3
InChIKeyUXNZCZFFWMWSLN-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.78
Rot. Bonds4

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

4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine (PubChem CID 63275638) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
PubChem CID63275638
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
SMILESCCC1CCC(N)C(N(C)CC2CCN(C)C2)C1
InChIInChI=1S/C15H31N3/c1-4-12-5-6-14(16)15(9-12)18(3)11-13-7-8-17(2)10-13/h12-15H,4-11,16H2,1-3H3
InChIKeyUXNZCZFFWMWSLN-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine
CID 63233108
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 63275857
2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63632460
2-N,4-diethyl-2-N-methylcyclohexane-1,2-diamine
CID 43263387
4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine
CID 63233434
4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine
CID 61438178
4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63980553
N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 80998479
N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63274181
4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 16781866
2-N-(cyclopropylmethyl)-2-N,4-diethylcyclohexane-1,2-diamine
CID 63955967
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carbonitrile
CID 63276046

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of 4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine (CID 63275638) is 4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for 4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine is CCC1CCC(N)C(N(C)CC2CCN(C)C2)C1.
What is the InChIKey of 4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine?
The InChIKey is UXNZCZFFWMWSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-12-5-6-14(16)15(9-12)18(3)11-13-7-8-17(2)10-13/h12-15H,4-11,16H2,1-3H3.
What are the key properties of 4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine?
4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine has a molecular weight of 253.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 63275638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).