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

C16H33N3 — CID 55217011

IUPACN-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine
SMILESCCN1CCN(CCNC2CCCCC2C)CC1C
InChIInChI=1S/C16H33N3/c1-4-19-12-11-18(13-15(19)3)10-9-17-16-8-6-5-7-14(16)2/h14-17H,4-13H2,1-3H3
InChIKeyFHAFMHGWPPWCKG-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds5

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

N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine (PubChem CID 55217011) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine
PubChem CID55217011
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine
SMILESCCN1CCN(CCNC2CCCCC2C)CC1C
InChIInChI=1S/C16H33N3/c1-4-19-12-11-18(13-15(19)3)10-9-17-16-8-6-5-7-14(16)2/h14-17H,4-13H2,1-3H3
InChIKeyFHAFMHGWPPWCKG-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine (CID 55217011) is N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine is CCN1CCN(CCNC2CCCCC2C)CC1C.
What is the InChIKey of N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine?
The InChIKey is FHAFMHGWPPWCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-19-12-11-18(13-15(19)3)10-9-17-16-8-6-5-7-14(16)2/h14-17H,4-13H2,1-3H3.
What are the key properties of N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine?
N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 55217011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).