4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine

C10H18N4 — CID 62320916

IUPAC4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2ncc[nH]2)CC1
InChIInChI=1S/C10H18N4/c11-8-1-3-9(4-2-8)14-7-10-12-5-6-13-10/h5-6,8-9,14H,1-4,7,11H2,(H,12,13)
InChIKeyDCYNVHYIQZEPMX-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.77
Rot. Bonds3

About 4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine

4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 62320916) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine
PubChem CID62320916
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2ncc[nH]2)CC1
InChIInChI=1S/C10H18N4/c11-8-1-3-9(4-2-8)14-7-10-12-5-6-13-10/h5-6,8-9,14H,1-4,7,11H2,(H,12,13)
InChIKeyDCYNVHYIQZEPMX-UHFFFAOYSA-N
XLogP0.77
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine
CID 126782159
1-tert-butyl-N-(1H-imidazol-2-ylmethyl)piperidin-4-amine
CID 54976574
N-(1H-imidazol-2-ylmethyl)oxan-3-amine
CID 63359807
N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119126160
N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80705410
N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428515
N-(1H-imidazol-2-ylmethyl)-1,1-dioxothian-3-amine
CID 63922123
N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine
CID 65078294
N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63823265
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 79740858
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine
CID 94247341
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069321

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine (CID 62320916) is 4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine is NC1CCC(NCc2ncc[nH]2)CC1.
What is the InChIKey of 4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is DCYNVHYIQZEPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c11-8-1-3-9(4-2-8)14-7-10-12-5-6-13-10/h5-6,8-9,14H,1-4,7,11H2,(H,12,13).
What are the key properties of 4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine?
4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-imidazol-2-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 62320916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).