N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine

C18H37N3 — CID 63636012

IUPACN,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1CN1CCN(C)C(CC)C1
InChIInChI=1S/C18H37N3/c1-5-15-8-9-18(19-7-3)16(12-15)13-21-11-10-20(4)17(6-2)14-21/h15-19H,5-14H2,1-4H3
InChIKeyZOZDCEHRLRHGDT-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds6

About N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine

N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 63636012) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
PubChem CID63636012
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1CN1CCN(C)C(CC)C1
InChIInChI=1S/C18H37N3/c1-5-15-8-9-18(19-7-3)16(12-15)13-21-11-10-20(4)17(6-2)14-21/h15-19H,5-14H2,1-4H3
InChIKeyZOZDCEHRLRHGDT-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 N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine (CID 63636012) is N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine is CCNC1CCC(CC)CC1CN1CCN(C)C(CC)C1.
What is the InChIKey of N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is ZOZDCEHRLRHGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-5-15-8-9-18(19-7-3)16(12-15)13-21-11-10-20(4)17(6-2)14-21/h15-19H,5-14H2,1-4H3.
What are the key properties of N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine?
N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-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 N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63636012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).