N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine

C18H37N3 — CID 64736598

IUPACN-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine
SMILESCCCN1CCN(CC2C(C)CC(C)CC2NCC)CC1
InChIInChI=1S/C18H37N3/c1-5-7-20-8-10-21(11-9-20)14-17-16(4)12-15(3)13-18(17)19-6-2/h15-19H,5-14H2,1-4H3
InChIKeyDRUCHKWTKHDXRY-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.67
Rot. Bonds6

About N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 64736598) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine
PubChem CID64736598
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine
SMILESCCCN1CCN(CC2C(C)CC(C)CC2NCC)CC1
InChIInChI=1S/C18H37N3/c1-5-7-20-8-10-21(11-9-20)14-17-16(4)12-15(3)13-18(17)19-6-2/h15-19H,5-14H2,1-4H3
InChIKeyDRUCHKWTKHDXRY-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine (CID 64736598) is N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine is CCCN1CCN(CC2C(C)CC(C)CC2NCC)CC1.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is DRUCHKWTKHDXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-5-7-20-8-10-21(11-9-20)14-17-16(4)12-15(3)13-18(17)19-6-2/h15-19H,5-14H2,1-4H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64736598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).