N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine

C15H26N4 — CID 106621751

IUPACN-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCCn1cncc1CN(CC1CCCCN1)C1CC1
InChIInChI=1S/C15H26N4/c1-2-18-12-16-9-15(18)11-19(14-6-7-14)10-13-5-3-4-8-17-13/h9,12-14,17H,2-8,10-11H2,1H3
InChIKeyJIKWMHVZKBAVEM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.01
Rot. Bonds6

About N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine

N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine (PubChem CID 106621751) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
PubChem CID106621751
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESCCn1cncc1CN(CC1CCCCN1)C1CC1
InChIInChI=1S/C15H26N4/c1-2-18-12-16-9-15(18)11-19(14-6-7-14)10-13-5-3-4-8-17-13/h9,12-14,17H,2-8,10-11H2,1H3
InChIKeyJIKWMHVZKBAVEM-UHFFFAOYSA-N
XLogP2.01
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603082
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715367
1-cyclopropyl-N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604446
N-[(3-ethylimidazol-4-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606134
N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine
CID 66135560
N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 66133909
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 128964578
N-cyclopropyl-1-ethyl-N-(piperidin-2-ylmethyl)imidazol-2-amine
CID 106640976
N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 106623020
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol
CID 106621618
N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623545
2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol
CID 102636558

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine (CID 106621751) is N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine is CCn1cncc1CN(CC1CCCCN1)C1CC1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
The InChIKey is JIKWMHVZKBAVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-2-18-12-16-9-15(18)11-19(14-6-7-14)10-13-5-3-4-8-17-13/h9,12-14,17H,2-8,10-11H2,1H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine has a molecular weight of 262.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106621751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).