2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine

C18H36N2 — CID 63465920

IUPAC2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(C(C)C)CC1N(CCC)C1CC1
InChIInChI=1S/C18H36N2/c1-5-11-19-17-10-7-15(14(3)4)13-18(17)20(12-6-2)16-8-9-16/h14-19H,5-13H2,1-4H3
InChIKeyGAJGWBDGISLYDS-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds8

About 2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine

2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine (PubChem CID 63465920) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
PubChem CID63465920
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
SMILESCCCNC1CCC(C(C)C)CC1N(CCC)C1CC1
InChIInChI=1S/C18H36N2/c1-5-11-19-17-10-7-15(14(3)4)13-18(17)20(12-6-2)16-8-9-16/h14-19H,5-13H2,1-4H3
InChIKeyGAJGWBDGISLYDS-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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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine (CID 63465920) is 2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine is CCCNC1CCC(C(C)C)CC1N(CCC)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine?
The InChIKey is GAJGWBDGISLYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-11-19-17-10-7-15(14(3)4)13-18(17)20(12-6-2)16-8-9-16/h14-19H,5-13H2,1-4H3.
What are the key properties of 2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine?
2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-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-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine is sourced from PubChem (CID 63465920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).