1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine

C16H31N3 — CID 70309538

IUPAC1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine
SMILESC=C(N1CCN(C)CC1)C1(NC(C)C)CCCCC1
InChIInChI=1S/C16H31N3/c1-14(2)17-16(8-6-5-7-9-16)15(3)19-12-10-18(4)11-13-19/h14,17H,3,5-13H2,1-2,4H3
InChIKeyOLDDTFMRFNAACS-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.45
Rot. Bonds4

About 1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine

1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine (PubChem CID 70309538) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine
PubChem CID70309538
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine
SMILESC=C(N1CCN(C)CC1)C1(NC(C)C)CCCCC1
InChIInChI=1S/C16H31N3/c1-14(2)17-16(8-6-5-7-9-16)15(3)19-12-10-18(4)11-13-19/h14,17H,3,5-13H2,1-2,4H3
InChIKeyOLDDTFMRFNAACS-UHFFFAOYSA-N
XLogP2.45
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine (CID 70309538) is 1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine is C=C(N1CCN(C)CC1)C1(NC(C)C)CCCCC1.
What is the InChIKey of 1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is OLDDTFMRFNAACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(2)17-16(8-6-5-7-9-16)15(3)19-12-10-18(4)11-13-19/h14,17H,3,5-13H2,1-2,4H3.
What are the key properties of 1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine?
1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 70309538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).