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

C16H30N4 — CID 66129804

IUPACN-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(C)C1CCCC(C)C1
InChIInChI=1S/C16H30N4/c1-4-8-20-12-18-11-16(20)15(10-17)19(3)14-7-5-6-13(2)9-14/h11-15H,4-10,17H2,1-3H3
InChIKeyTUPCBNQMBAYYPL-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.80
Rot. Bonds6

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

N-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66129804) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66129804
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(C)C1CCCC(C)C1
InChIInChI=1S/C16H30N4/c1-4-8-20-12-18-11-16(20)15(10-17)19(3)14-7-5-6-13(2)9-14/h11-15H,4-10,17H2,1-3H3
InChIKeyTUPCBNQMBAYYPL-UHFFFAOYSA-N
XLogP2.80
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (CID 66129804) is N-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is CCCn1cncc1C(CN)N(C)C1CCCC(C)C1.
What is the InChIKey of N-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is TUPCBNQMBAYYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-8-20-12-18-11-16(20)15(10-17)19(3)14-7-5-6-13(2)9-14/h11-15H,4-10,17H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
N-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66129804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).