N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine

C14H24N4 — CID 66150734

IUPACN-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCN1CCC(Cn2cncc2CNC2CC2)CC1
InChIInChI=1S/C14H24N4/c1-17-6-4-12(5-7-17)10-18-11-15-8-14(18)9-16-13-2-3-13/h8,11-13,16H,2-7,9-10H2,1H3
InChIKeyIGILWFBYXBFEAU-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.48
Rot. Bonds5

About N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 66150734) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID66150734
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCN1CCC(Cn2cncc2CNC2CC2)CC1
InChIInChI=1S/C14H24N4/c1-17-6-4-12(5-7-17)10-18-11-15-8-14(18)9-16-13-2-3-13/h8,11-13,16H,2-7,9-10H2,1H3
InChIKeyIGILWFBYXBFEAU-UHFFFAOYSA-N
XLogP1.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66148807
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150946
4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66129378
1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
N-[[3-(3,3,3-trifluoropropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66151603
N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66146507
N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine
CID 66129398
N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150756
1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 66149073
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine
CID 66140196
1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine
CID 66133818

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine (CID 66150734) is N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine is CN1CCC(Cn2cncc2CNC2CC2)CC1.
What is the InChIKey of N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is IGILWFBYXBFEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-17-6-4-12(5-7-17)10-18-11-15-8-14(18)9-16-13-2-3-13/h8,11-13,16H,2-7,9-10H2,1H3.
What are the key properties of N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 248.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66150734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).