4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine

C18H37N3 — CID 62615346

IUPAC4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)C)CC1CN1CCN(C)CC1
InChIInChI=1S/C18H37N3/c1-6-19-17-8-7-16(18(2,3)4)13-15(17)14-21-11-9-20(5)10-12-21/h15-17,19H,6-14H2,1-5H3
InChIKeyZINMIWPBHVGQHT-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.67
Rot. Bonds4

About 4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine

4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 62615346) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
PubChem CID62615346
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)C)CC1CN1CCN(C)CC1
InChIInChI=1S/C18H37N3/c1-6-19-17-8-7-16(18(2,3)4)13-15(17)14-21-11-9-20(5)10-12-21/h15-17,19H,6-14H2,1-5H3
InChIKeyZINMIWPBHVGQHT-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

N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708674
4-tert-butyl-2-[(4-ethylpiperazin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 62614453
4-tert-butyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-ol
CID 62610754
4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine
CID 63483579
4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine
CID 65097873
4-tert-butyl-2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62614673
2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol
CID 62614447
2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394
4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 115987570
N,4-diethyl-2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63636012
N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63620914

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine (CID 62615346) is 4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine is CCNC1CCC(C(C)(C)C)CC1CN1CCN(C)CC1.
What is the InChIKey of 4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is ZINMIWPBHVGQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-6-19-17-8-7-16(18(2,3)4)13-15(17)14-21-11-9-20(5)10-12-21/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine?
4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-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-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62615346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).