4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine

C18H38N2O — CID 81035410

IUPAC4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(C(C)(C)C)CC1N(C)CCOCC
InChIInChI=1S/C18H38N2O/c1-7-11-19-16-10-9-15(18(3,4)5)14-17(16)20(6)12-13-21-8-2/h15-17,19H,7-14H2,1-6H3
InChIKeyYVOMJTQDEQPHJC-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.54
Rot. Bonds8

About 4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine

4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine (PubChem CID 81035410) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
PubChem CID81035410
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(C(C)(C)C)CC1N(C)CCOCC
InChIInChI=1S/C18H38N2O/c1-7-11-19-16-10-9-15(18(3,4)5)14-17(16)20(6)12-13-21-8-2/h15-17,19H,7-14H2,1-6H3
InChIKeyYVOMJTQDEQPHJC-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466743
4-tert-butyl-2-N-methyl-2-N-(2-methylbutyl)-1-N-propylcyclohexane-1,2-diamine
CID 63469543
2-N-methyl-4-(2-methylbutan-2-yl)-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63467170
4-tert-butyl-2-[2-ethoxyethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 81056596
4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 63467911
4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine
CID 82732254
4-tert-butyl-1-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)cyclohexane-1,2-diamine
CID 79842762
3-N-(2-ethoxyethyl)-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 81059535
2-N-(3-methoxypropyl)-2-N,4-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 62984825
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 63696132
2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 81059328
4-tert-butyl-2-N-(cyclopentylmethyl)-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63633145

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine (CID 81035410) is 4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine is CCCNC1CCC(C(C)(C)C)CC1N(C)CCOCC.
What is the InChIKey of 4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is YVOMJTQDEQPHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-7-11-19-16-10-9-15(18(3,4)5)14-17(16)20(6)12-13-21-8-2/h15-17,19H,7-14H2,1-6H3.
What are the key properties of 4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine?
4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 298.51 g/mol, XLogP of 3.54, 8 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-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 81035410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).