4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine

C18H36N2O — CID 82732254

IUPAC4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(C(C)(C)C)CC1N(C)C1CCOC1
InChIInChI=1S/C18H36N2O/c1-6-10-19-16-8-7-14(18(2,3)4)12-17(16)20(5)15-9-11-21-13-15/h14-17,19H,6-13H2,1-5H3
InChIKeyBTJAHHCQFWBXQU-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds5

About 4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine

4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine (PubChem CID 82732254) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine
PubChem CID82732254
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(C(C)(C)C)CC1N(C)C1CCOC1
InChIInChI=1S/C18H36N2O/c1-6-10-19-16-8-7-14(18(2,3)4)12-17(16)20(5)15-9-11-21-13-15/h14-17,19H,6-13H2,1-5H3
InChIKeyBTJAHHCQFWBXQU-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine
CID 82735228
2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466743
4-tert-butyl-2-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylic acid
CID 82754923
4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine
CID 63469543
4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 81035410
1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine
CID 82734966
2-N-methyl-4-(2-methylbutan-2-yl)-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63467170
4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63401586
3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine
CID 64657231
2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63466974
4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483435

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine (CID 82732254) is 4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine is CCCNC1CCC(C(C)(C)C)CC1N(C)C1CCOC1.
What is the InChIKey of 4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is BTJAHHCQFWBXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-6-10-19-16-8-7-14(18(2,3)4)12-17(16)20(5)15-9-11-21-13-15/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine?
4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 82732254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).