N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine

C14H26N4 — CID 66150946

IUPACN-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1CC1CCN(C)CC1
InChIInChI=1S/C14H26N4/c1-12(2)16-9-14-8-15-11-18(14)10-13-4-6-17(3)7-5-13/h8,11-13,16H,4-7,9-10H2,1-3H3
InChIKeyGCUCRTOJGBIUAH-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.72
Rot. Bonds5

About N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine

N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66150946) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID66150946
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1CC1CCN(C)CC1
InChIInChI=1S/C14H26N4/c1-12(2)16-9-14-8-15-11-18(14)10-13-4-6-17(3)7-5-13/h8,11-13,16H,4-7,9-10H2,1-3H3
InChIKeyGCUCRTOJGBIUAH-UHFFFAOYSA-N
XLogP1.72
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147976
N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150150
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150734
N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152169
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147974
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151207
N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66148807
1-[3-[(4-ethylcyclohexyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 66149073
[3-(cyclobutylmethyl)imidazol-4-yl]methanol
CID 66150823
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146724
N-[[3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 80686896

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (CID 66150946) is N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cncn1CC1CCN(C)CC1.
What is the InChIKey of N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is GCUCRTOJGBIUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)16-9-14-8-15-11-18(14)10-13-4-6-17(3)7-5-13/h8,11-13,16H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 1.72, 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]propan-2-amine is sourced from PubChem (CID 66150946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).