2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine

C17H35N3 — CID 63233108

IUPAC2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine
SMILESCCCC1CCC(N)C(N(C)CC2CCN(C)CC2)C1
InChIInChI=1S/C17H35N3/c1-4-5-14-6-7-16(18)17(12-14)20(3)13-15-8-10-19(2)11-9-15/h14-17H,4-13,18H2,1-3H3
InChIKeyUCKABDQZCQEJSF-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.56
Rot. Bonds5

About 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine

2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine (PubChem CID 63233108) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine
PubChem CID63233108
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine
SMILESCCCC1CCC(N)C(N(C)CC2CCN(C)CC2)C1
InChIInChI=1S/C17H35N3/c1-4-5-14-6-7-16(18)17(12-14)20(3)13-15-8-10-19(2)11-9-15/h14-17H,4-13,18H2,1-3H3
InChIKeyUCKABDQZCQEJSF-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine (CID 63233108) is 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine is CCCC1CCC(N)C(N(C)CC2CCN(C)CC2)C1.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine?
The InChIKey is UCKABDQZCQEJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-5-14-6-7-16(18)17(12-14)20(3)13-15-8-10-19(2)11-9-15/h14-17H,4-13,18H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine?
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine has a molecular weight of 281.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 63233108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).