N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine

C16H33N3 — CID 55216764

IUPACN-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1N1CCN(CC)C(C)C1
InChIInChI=1S/C16H33N3/c1-5-17-15-8-7-13(3)11-16(15)19-10-9-18(6-2)14(4)12-19/h13-17H,5-12H2,1-4H3
InChIKeyQJNAAJJASZFJPZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds4

About N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine

N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine (PubChem CID 55216764) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine
PubChem CID55216764
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1N1CCN(CC)C(C)C1
InChIInChI=1S/C16H33N3/c1-5-17-15-8-7-13(3)11-16(15)19-10-9-18(6-2)14(4)12-19/h13-17H,5-12H2,1-4H3
InChIKeyQJNAAJJASZFJPZ-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine (CID 55216764) is N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1N1CCN(CC)C(C)C1.
What is the InChIKey of N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine?
The InChIKey is QJNAAJJASZFJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-17-15-8-7-13(3)11-16(15)19-10-9-18(6-2)14(4)12-19/h13-17H,5-12H2,1-4H3.
What are the key properties of N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine?
N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 55216764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).