4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine

C19H40N2 — CID 63483435

IUPAC4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1CN(CC)CCC
InChIInChI=1S/C19H40N2/c1-7-12-20-18-11-10-17(19(4,5)6)14-16(18)15-21(9-3)13-8-2/h16-18,20H,7-15H2,1-6H3
InChIKeyOCIBLJKQQCIOSX-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.55
Rot. Bonds8

About 4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine

4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine (PubChem CID 63483435) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
PubChem CID63483435
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1CN(CC)CCC
InChIInChI=1S/C19H40N2/c1-7-12-20-18-11-10-17(19(4,5)6)14-16(18)15-21(9-3)13-8-2/h16-18,20H,7-15H2,1-6H3
InChIKeyOCIBLJKQQCIOSX-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine with MolForge

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Related Compounds

(2S)-2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-[(2R)-1-(methylamino)propan-2-yl]hexane-1,2-diamine
CID 24792593
(4-tert-butylcyclohexyl)methyl-[(1S)-1-[[[(1R,2R)-2-methyl-1-(methylaminomethyl)butyl]amino]methyl]butyl]amine
CID 24792601
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
4,4'-Methylenebis[2-methyl-N-(1-methylpropyl)cyclohexanamine]
CID 21885475
1,3,3-Trimethyl-N-(2-methylpropyl)-5-((2-methylpropyl)amino)cyclohexanemethanamine
CID 54504755
Cambridge id 5418134
CID 782244
Cambridge id 5466078
CID 784637
4-tert-butyl-N-(4-tert-butylcyclohexyl)cyclohexan-1-amine
CID 14381169
4-tert-butyl-N-octylcyclohexan-1-amine
CID 19818704
trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
CID 134926424
N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55106115
N,4-diethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 62609258

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine (CID 63483435) is 4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)(C)C)CC1CN(CC)CCC.
What is the InChIKey of 4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is OCIBLJKQQCIOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-7-12-20-18-11-10-17(19(4,5)6)14-16(18)15-21(9-3)13-8-2/h16-18,20H,7-15H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine?
4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63483435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).