4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine

C18H36N2 — CID 63955959

IUPAC4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine
SMILESCCNC1CCC(C(C)(C)C)CC1N(CC)CC1CC1
InChIInChI=1S/C18H36N2/c1-6-19-16-11-10-15(18(3,4)5)12-17(16)20(7-2)13-14-8-9-14/h14-17,19H,6-13H2,1-5H3
InChIKeyFWJLYJYRLORHNE-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds6

About 4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine

4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine (PubChem CID 63955959) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine
PubChem CID63955959
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine
SMILESCCNC1CCC(C(C)(C)C)CC1N(CC)CC1CC1
InChIInChI=1S/C18H36N2/c1-6-19-16-11-10-15(18(3,4)5)12-17(16)20(7-2)13-14-8-9-14/h14-17,19H,6-13H2,1-5H3
InChIKeyFWJLYJYRLORHNE-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-N-(cyclopentylmethyl)-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63633145
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63956178
4-tert-butyl-2-[cyclopropylmethyl(ethyl)amino]cyclohexane-1-carbonitrile
CID 63956800
4-tert-butyl-2-(diethylaminomethyl)-N-ethylcyclohexan-1-amine
CID 63483579
1-N,2-N-diethyl-4-(2-methylbutan-2-yl)-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
CID 63468083
4-tert-butyl-1-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)cyclohexane-1,2-diamine
CID 79842762
4-tert-butyl-2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62614673
2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine
CID 55194190
(1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134438157
N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine
CID 113428540
4-tert-butyl-N-ethyl-2-[[ethyl(2-methoxyethyl)amino]methyl]cyclohexan-1-amine
CID 62610178
2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 107397961

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine?
The IUPAC name of 4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine (CID 63955959) is 4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine?
The canonical SMILES for 4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine is CCNC1CCC(C(C)(C)C)CC1N(CC)CC1CC1.
What is the InChIKey of 4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine?
The InChIKey is FWJLYJYRLORHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-19-16-11-10-15(18(3,4)5)12-17(16)20(7-2)13-14-8-9-14/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine?
4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 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-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine is sourced from PubChem (CID 63955959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).