1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine

C12H17N5 — CID 106718324

IUPAC1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2cncn2C2CC2)cn1
InChIInChI=1S/C12H17N5/c1-13-4-10-6-16(9-15-10)7-12-5-14-8-17(12)11-2-3-11/h5-6,8-9,11,13H,2-4,7H2,1H3
InChIKeyKZQBVRCXCBSKFG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.18
Rot. Bonds5

About 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine

1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine (PubChem CID 106718324) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine
PubChem CID106718324
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2cncn2C2CC2)cn1
InChIInChI=1S/C12H17N5/c1-13-4-10-6-16(9-15-10)7-12-5-14-8-17(12)11-2-3-11/h5-6,8-9,11,13H,2-4,7H2,1H3
InChIKeyKZQBVRCXCBSKFG-UHFFFAOYSA-N
XLogP1.18
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine
CID 106717969
1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
CID 66149552
1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
CID 66151421
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 79105422
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718523
1-[3-(1-cyclopropylpyrrolidin-3-yl)imidazol-4-yl]-N-methylmethanamine
CID 66151768
1-[3-(3,3-dimethylcyclopentyl)imidazol-4-yl]-N-methylmethanamine
CID 114541577
1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 66154635
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
1-[(3-cyclopropylimidazol-4-yl)methyl]-2,6-dimethylpiperazine
CID 66155035
1-[3-[(3-cyclopropylimidazol-4-yl)methoxy]cyclobutyl]-N-methylmethanamine
CID 106938573
[3-(4-methylcyclohexyl)imidazol-4-yl]methanol
CID 66150398

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine (CID 106718324) is 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine is CNCc1cn(Cc2cncn2C2CC2)cn1.
What is the InChIKey of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine?
The InChIKey is KZQBVRCXCBSKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-13-4-10-6-16(9-15-10)7-12-5-14-8-17(12)11-2-3-11/h5-6,8-9,11,13H,2-4,7H2,1H3.
What are the key properties of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine?
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106718324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).