[1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine

C16H33N3 — CID 107448927

IUPAC[1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine
SMILESCCN1CCN(C2(CN)CCCC(C(C)C)C2)CC1
InChIInChI=1S/C16H33N3/c1-4-18-8-10-19(11-9-18)16(13-17)7-5-6-15(12-16)14(2)3/h14-15H,4-13,17H2,1-3H3
InChIKeyMKJGXYGKLXWNQB-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.17
Rot. Bonds4

About [1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine

[1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine (PubChem CID 107448927) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is [1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine
PubChem CID107448927
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name[1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine
SMILESCCN1CCN(C2(CN)CCCC(C(C)C)C2)CC1
InChIInChI=1S/C16H33N3/c1-4-18-8-10-19(11-9-18)16(13-17)7-5-6-15(12-16)14(2)3/h14-15H,4-13,17H2,1-3H3
InChIKeyMKJGXYGKLXWNQB-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine (CID 107448927) is [1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine is CCN1CCN(C2(CN)CCCC(C(C)C)C2)CC1.
What is the InChIKey of [1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine?
The InChIKey is MKJGXYGKLXWNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-18-8-10-19(11-9-18)16(13-17)7-5-6-15(12-16)14(2)3/h14-15H,4-13,17H2,1-3H3.
What are the key properties of [1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine?
[1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 107448927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).