6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine

C18H37N3 — CID 79842409

IUPAC6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(CN2CCN(CC)CC2)CCCC1(C)C
InChIInChI=1S/C18H37N3/c1-5-10-19-17-16(8-7-9-18(17,3)4)15-21-13-11-20(6-2)12-14-21/h16-17,19H,5-15H2,1-4H3
InChIKeyZIWZTUDXNBGXKG-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds6

About 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine

6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 79842409) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
PubChem CID79842409
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1C(CN2CCN(CC)CC2)CCCC1(C)C
InChIInChI=1S/C18H37N3/c1-5-10-19-17-16(8-7-9-18(17,3)4)15-21-13-11-20(6-2)12-14-21/h16-17,19H,5-15H2,1-4H3
InChIKeyZIWZTUDXNBGXKG-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine (CID 79842409) is 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine is CCCNC1C(CN2CCN(CC)CC2)CCCC1(C)C.
What is the InChIKey of 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is ZIWZTUDXNBGXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-5-10-19-17-16(8-7-9-18(17,3)4)15-21-13-11-20(6-2)12-14-21/h16-17,19H,5-15H2,1-4H3.
What are the key properties of 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine?
6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79842409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).