4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine

C17H36N2 — CID 63483579

IUPAC4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)C)CC1CN(CC)CC
InChIInChI=1S/C17H36N2/c1-7-18-16-11-10-15(17(4,5)6)12-14(16)13-19(8-2)9-3/h14-16,18H,7-13H2,1-6H3
InChIKeyFLIVAVZQQJHTGH-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds6

About 4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine

4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine (PubChem CID 63483579) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine
PubChem CID63483579
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)C)CC1CN(CC)CC
InChIInChI=1S/C17H36N2/c1-7-18-16-11-10-15(17(4,5)6)12-14(16)13-19(8-2)9-3/h14-16,18H,7-13H2,1-6H3
InChIKeyFLIVAVZQQJHTGH-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-ethyl-2-[[ethyl(2-methoxyethyl)amino]methyl]cyclohexan-1-amine
CID 62610178
4-tert-butyl-2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62614673
4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483435
4-tert-butyl-N-ethyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 115987570
4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine
CID 63955959
4-tert-butyl-N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 62615346
4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine
CID 65097873
4-tert-butyl-2-N-(cyclopentylmethyl)-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63633145
2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
N-ethyl-2-[[ethyl(propyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63483436
4-tert-butyl-N-ethyl-2-(furan-2-ylmethyl)cyclohexan-1-amine
CID 63401760
2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 107401671

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine (CID 63483579) is 4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine is CCNC1CCC(C(C)(C)C)CC1CN(CC)CC.
What is the InChIKey of 4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine?
The InChIKey is FLIVAVZQQJHTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-18-16-11-10-15(17(4,5)6)12-14(16)13-19(8-2)9-3/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine?
4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 63483579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).