2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine

C18H36N2 — CID 78944026

IUPAC2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine
SMILESCCCC1CCC(NC)C(N(CCC(C)C)C2CC2)C1
InChIInChI=1S/C18H36N2/c1-5-6-15-7-10-17(19-4)18(13-15)20(16-8-9-16)12-11-14(2)3/h14-19H,5-13H2,1-4H3
InChIKeyQQHXIUSHPIBHQP-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds8

About 2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine

2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine (PubChem CID 78944026) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine
PubChem CID78944026
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine
SMILESCCCC1CCC(NC)C(N(CCC(C)C)C2CC2)C1
InChIInChI=1S/C18H36N2/c1-5-6-15-7-10-17(19-4)18(13-15)20(16-8-9-16)12-11-14(2)3/h14-19H,5-13H2,1-4H3
InChIKeyQQHXIUSHPIBHQP-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78943997
2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine
CID 63465286
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163
3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine
CID 78976656
2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78974066
N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine
CID 64634825
2-[cyclopropyl(3-methylbutyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 78924057
2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78998617
1-N,2-N-dimethyl-4-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
CID 63206871
3-[2-(methylamino)-5-propylcyclohexyl]sulfanylbutan-1-ol
CID 66136229
N-methyl-2-[[methyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093934

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine (CID 78944026) is 2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine is CCCC1CCC(NC)C(N(CCC(C)C)C2CC2)C1.
What is the InChIKey of 2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine?
The InChIKey is QQHXIUSHPIBHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-6-15-7-10-17(19-4)18(13-15)20(16-8-9-16)12-11-14(2)3/h14-19H,5-13H2,1-4H3.
What are the key properties of 2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine?
2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 78944026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).