4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine

C18H37N3 — CID 62614453

IUPAC4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCCN1CCN(CC2CC(C(C)(C)C)CCC2NC)CC1
InChIInChI=1S/C18H37N3/c1-6-20-9-11-21(12-10-20)14-15-13-16(18(2,3)4)7-8-17(15)19-5/h15-17,19H,6-14H2,1-5H3
InChIKeyFZLNWUZPVOFZAX-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.67
Rot. Bonds4

About 4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine

4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 62614453) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine
PubChem CID62614453
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCCN1CCN(CC2CC(C(C)(C)C)CCC2NC)CC1
InChIInChI=1S/C18H37N3/c1-6-20-9-11-21(12-10-20)14-15-13-16(18(2,3)4)7-8-17(15)19-5/h15-17,19H,6-14H2,1-5H3
InChIKeyFZLNWUZPVOFZAX-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 62615346
4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-methylcyclohexan-1-amine
CID 62616806
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
CID 63401228
4-tert-butyl-N-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-amine
CID 62615932
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489
N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63003105
4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 105404547
2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
4-tert-butyl-N-methyl-2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63494004
4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine
CID 63468858
N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708673

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine (CID 62614453) is 4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine is CCN1CCN(CC2CC(C(C)(C)C)CCC2NC)CC1.
What is the InChIKey of 4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is FZLNWUZPVOFZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-6-20-9-11-21(12-10-20)14-15-13-16(18(2,3)4)7-8-17(15)19-5/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine?
4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 62614453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).