N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine

C14H25N3 — CID 66147976

IUPACN-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1CC1CCCCC1
InChIInChI=1S/C14H25N3/c1-12(2)16-9-14-8-15-11-17(14)10-13-6-4-3-5-7-13/h8,11-13,16H,3-7,9-10H2,1-2H3
InChIKeyDPGUHHUIILUUIJ-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.96
Rot. Bonds5

About N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine

N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66147976) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID66147976
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1CC1CCCCC1
InChIInChI=1S/C14H25N3/c1-12(2)16-9-14-8-15-11-17(14)10-13-6-4-3-5-7-13/h8,11-13,16H,3-7,9-10H2,1-2H3
InChIKeyDPGUHHUIILUUIJ-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine (CID 66147976) is N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cncn1CC1CCCCC1.
What is the InChIKey of N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is DPGUHHUIILUUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)16-9-14-8-15-11-17(14)10-13-6-4-3-5-7-13/h8,11-13,16H,3-7,9-10H2,1-2H3.
What are the key properties of N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 235.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66147976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).