2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine

C15H31N3 — CID 114086653

IUPAC2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(N2CCN(C)CC2C)C1
InChIInChI=1S/C15H31N3/c1-4-5-13-6-7-14(16)15(10-13)18-9-8-17(3)11-12(18)2/h12-15H,4-11,16H2,1-3H3
InChIKeyMWVRURQXHKVDRG-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds3

About 2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine

2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine (PubChem CID 114086653) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine
PubChem CID114086653
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(N2CCN(C)CC2C)C1
InChIInChI=1S/C15H31N3/c1-4-5-13-6-7-14(16)15(10-13)18-9-8-17(3)11-12(18)2/h12-15H,4-11,16H2,1-3H3
InChIKeyMWVRURQXHKVDRG-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexan-1-amine
CID 54932872
4-propyl-2-(2-propylpiperidin-1-yl)cyclohexan-1-amine
CID 83052555
4-propyl-2-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 63468765
[2-(2,4-dimethylpiperidin-1-yl)-4-propylcyclohexyl]methanamine
CID 62330648
[2-(2,4-dimethylpiperazin-1-yl)cyclopropyl]methanol
CID 130685572
2-[3-(methoxymethyl)piperidin-1-yl]-4-propylcyclohexan-1-amine
CID 106586654
2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine
CID 61220136
[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine
CID 79927666
1-[(2-amino-5-propylcyclohexyl)methyl]-3-methylpiperidin-4-ol
CID 114681929
[2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine
CID 63603329
2-(2-methylpyrrolidin-1-yl)-N,4-dipropylcyclohexan-1-amine
CID 63469567
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-4-propylcyclohexane-1,2-diamine
CID 63233108

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine (CID 114086653) is 2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(N2CCN(C)CC2C)C1.
What is the InChIKey of 2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine?
The InChIKey is MWVRURQXHKVDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-5-13-6-7-14(16)15(10-13)18-9-8-17(3)11-12(18)2/h12-15H,4-11,16H2,1-3H3.
What are the key properties of 2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine?
2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperazin-1-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 114086653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).