4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine

C15H28N4 — CID 79115486

IUPAC4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine
SMILESCCCn1cncc1CN(CC)C1CCC(N)CC1
InChIInChI=1S/C15H28N4/c1-3-9-19-12-17-10-15(19)11-18(4-2)14-7-5-13(16)6-8-14/h10,12-14H,3-9,11,16H2,1-2H3
InChIKeyNRKFBGZBQCBYMM-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.38
Rot. Bonds6

About 4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine

4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 79115486) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine
PubChem CID79115486
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine
SMILESCCCn1cncc1CN(CC)C1CCC(N)CC1
InChIInChI=1S/C15H28N4/c1-3-9-19-12-17-10-15(19)11-18(4-2)14-7-5-13(16)6-8-14/h10,12-14H,3-9,11,16H2,1-2H3
InChIKeyNRKFBGZBQCBYMM-UHFFFAOYSA-N
XLogP2.38
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine (CID 79115486) is 4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine is CCCn1cncc1CN(CC)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is NRKFBGZBQCBYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-9-19-12-17-10-15(19)11-18(4-2)14-7-5-13(16)6-8-14/h10,12-14H,3-9,11,16H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79115486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).