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

C17H35N3 — CID 62708674

IUPACN-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1CN1CCN(C)CC1
InChIInChI=1S/C17H35N3/c1-5-18-17-7-6-15(14(2)3)12-16(17)13-20-10-8-19(4)9-11-20/h14-18H,5-13H2,1-4H3
InChIKeyFBIGLOXXRWCIEX-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.28
Rot. Bonds5

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

N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62708674) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID62708674
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1CN1CCN(C)CC1
InChIInChI=1S/C17H35N3/c1-5-18-17-7-6-15(14(2)3)12-16(17)13-20-10-8-19(4)9-11-20/h14-18H,5-13H2,1-4H3
InChIKeyFBIGLOXXRWCIEX-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708673
4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 62615346
N-methyl-4-propan-2-yl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine
CID 62708118
N-ethyl-2-(2-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 55186543
2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol
CID 62614447
2-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63494522
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63483028
N-ethyl-2-[2-(2-methylpropoxy)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106454513
2-(4-methylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62703151
N-ethyl-2-[[ethyl(propyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63483436
1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
CID 63206785

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 62708674) is N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1CN1CCN(C)CC1.
What is the InChIKey of N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is FBIGLOXXRWCIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-5-18-17-7-6-15(14(2)3)12-16(17)13-20-10-8-19(4)9-11-20/h14-18H,5-13H2,1-4H3.
What are the key properties of N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62708674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).