1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine

C16H28N4 — CID 66142037

IUPAC1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCCC1N(C)C(CN)c1cncn1C1CC1
InChIInChI=1S/C16H28N4/c1-12-5-3-4-6-14(12)19(2)15(9-17)16-10-18-11-20(16)13-7-8-13/h10-15H,3-9,17H2,1-2H3
InChIKeySRWHIBBVKXLPMM-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.73
Rot. Bonds5

About 1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine

1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 66142037) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
PubChem CID66142037
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCCC1N(C)C(CN)c1cncn1C1CC1
InChIInChI=1S/C16H28N4/c1-12-5-3-4-6-14(12)19(2)15(9-17)16-10-18-11-20(16)13-7-8-13/h10-15H,3-9,17H2,1-2H3
InChIKeySRWHIBBVKXLPMM-UHFFFAOYSA-N
XLogP2.73
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine (CID 66142037) is 1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine is CC1CCCCC1N(C)C(CN)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is SRWHIBBVKXLPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12-5-3-4-6-14(12)19(2)15(9-17)16-10-18-11-20(16)13-7-8-13/h10-15H,3-9,17H2,1-2H3.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 276.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 66142037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).