N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine

C13H22N4 — CID 106639662

IUPACN-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESc1ncc(CN(CC2CCCNC2)C2CC2)[nH]1
InChIInChI=1S/C13H22N4/c1-2-11(6-14-5-1)8-17(13-3-4-13)9-12-7-15-10-16-12/h7,10-11,13-14H,1-6,8-9H2,(H,15,16)
InChIKeyKTPLMFRZVQAMJI-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.37
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine

N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106639662) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106639662
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESc1ncc(CN(CC2CCCNC2)C2CC2)[nH]1
InChIInChI=1S/C13H22N4/c1-2-11(6-14-5-1)8-17(13-3-4-13)9-12-7-15-10-16-12/h7,10-11,13-14H,1-6,8-9H2,(H,15,16)
InChIKeyKTPLMFRZVQAMJI-UHFFFAOYSA-N
XLogP1.37
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 169426845
N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640251
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624973
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624936
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119930119
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639763
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 103815917
N-[(2-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624762
N-[[4-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624895
N-ethyl-N-(1H-imidazol-5-ylmethyl)piperidin-4-amine
CID 63109350

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106639662) is N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine is c1ncc(CN(CC2CCCNC2)C2CC2)[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is KTPLMFRZVQAMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-11(6-14-5-1)8-17(13-3-4-13)9-12-7-15-10-16-12/h7,10-11,13-14H,1-6,8-9H2,(H,15,16).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 234.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106639662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).