3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine

C19H40N2 — CID 64750941

IUPAC3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CC(C)CC(C)C1N(CC(C)C)CC(C)C
InChIInChI=1S/C19H40N2/c1-8-9-20-18-11-16(6)10-17(7)19(18)21(12-14(2)3)13-15(4)5/h14-20H,8-13H2,1-7H3
InChIKeyYWZAWEHRQXURKZ-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.40
Rot. Bonds8

About 3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine

3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine (PubChem CID 64750941) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
PubChem CID64750941
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CC(C)CC(C)C1N(CC(C)C)CC(C)C
InChIInChI=1S/C19H40N2/c1-8-9-20-18-11-16(6)10-17(7)19(18)21(12-14(2)3)13-15(4)5/h14-20H,8-13H2,1-7H3
InChIKeyYWZAWEHRQXURKZ-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64724835
2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine
CID 64751152
2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724626
2-N,2-N-bis(2-methoxyethyl)-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64753309
2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine
CID 64723005
2-N-(cyclopropylmethyl)-3,5-dimethyl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 64752522
2-N-butyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724621
2-N,3,5-trimethyl-2-N-(4-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64751336
2-N-cyclopentyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64723407
2-N,3,5-trimethyl-2-N-(2-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750765
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-3,5-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64751354
N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 64734674

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine (CID 64750941) is 3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine is CCCNC1CC(C)CC(C)C1N(CC(C)C)CC(C)C.
What is the InChIKey of 3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is YWZAWEHRQXURKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-8-9-20-18-11-16(6)10-17(7)19(18)21(12-14(2)3)13-15(4)5/h14-20H,8-13H2,1-7H3.
What are the key properties of 3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine?
3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 64750941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).