N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine

C15H25N3 — CID 81033575

IUPACN-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESCCn1ccnc1CC1CCCC1CNC1CC1
InChIInChI=1S/C15H25N3/c1-2-18-9-8-16-15(18)10-12-4-3-5-13(12)11-17-14-6-7-14/h8-9,12-14,17H,2-7,10-11H2,1H3
InChIKeyAQMUNGQXNIJDKP-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.61
Rot. Bonds6

About N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine

N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine (PubChem CID 81033575) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
PubChem CID81033575
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESCCn1ccnc1CC1CCCC1CNC1CC1
InChIInChI=1S/C15H25N3/c1-2-18-9-8-16-15(18)10-12-4-3-5-13(12)11-17-14-6-7-14/h8-9,12-14,17H,2-7,10-11H2,1H3
InChIKeyAQMUNGQXNIJDKP-UHFFFAOYSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031527
N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026464
2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 81014583
3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine
CID 114510622
N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81025079
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
CID 115641638
N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471784
1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025168
3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 79762054
1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 62350120
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033085

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine (CID 81033575) is N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine is CCn1ccnc1CC1CCCC1CNC1CC1.
What is the InChIKey of N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
The InChIKey is AQMUNGQXNIJDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-18-9-8-16-15(18)10-12-4-3-5-13(12)11-17-14-6-7-14/h8-9,12-14,17H,2-7,10-11H2,1H3.
What are the key properties of N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine?
N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine has a molecular weight of 247.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 81033575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).