4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine

C17H35N3 — CID 63233434

IUPAC4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine
SMILESCCC1CCC(NC)C(N(C)CC2CCN(C)CC2)C1
InChIInChI=1S/C17H35N3/c1-5-14-6-7-16(18-2)17(12-14)20(4)13-15-8-10-19(3)11-9-15/h14-18H,5-13H2,1-4H3
InChIKeyMCSPDEWJKVIGPL-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.43
Rot. Bonds5

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

4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine (PubChem CID 63233434) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine
PubChem CID63233434
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine
SMILESCCC1CCC(NC)C(N(C)CC2CCN(C)CC2)C1
InChIInChI=1S/C17H35N3/c1-5-14-6-7-16(18-2)17(12-14)20(4)13-15-8-10-19(3)11-9-15/h14-18H,5-13H2,1-4H3
InChIKeyMCSPDEWJKVIGPL-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine with MolForge

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Related Compounds

4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 63275638
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine
CID 63275645
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 105414322
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylcyclohexane-1,2-diamine
CID 79314207
2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 81059328
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine
CID 63233108
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63274181
1-N,2-N-dimethyl-4-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
CID 63206871
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132
1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine
CID 63275821
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of 4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine (CID 63233434) is 4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for 4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine is CCC1CCC(NC)C(N(C)CC2CCN(C)CC2)C1.
What is the InChIKey of 4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine?
The InChIKey is MCSPDEWJKVIGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-5-14-6-7-16(18-2)17(12-14)20(4)13-15-8-10-19(3)11-9-15/h14-18H,5-13H2,1-4H3.
What are the key properties of 4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine?
4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine has a molecular weight of 281.49 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 63233434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).