N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine

C18H25N3 — CID 105348638

IUPACN-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine
SMILESCCc1nccn1Cc1ccc(C(C)CNC2CC2)cc1
InChIInChI=1S/C18H25N3/c1-3-18-19-10-11-21(18)13-15-4-6-16(7-5-15)14(2)12-20-17-8-9-17/h4-7,10-11,14,17,20H,3,8-9,12-13H2,1-2H3
InChIKeyRDPTTWJYOUERQP-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.35
Rot. Bonds7

About N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine

N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine (PubChem CID 105348638) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine
PubChem CID105348638
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine
SMILESCCc1nccn1Cc1ccc(C(C)CNC2CC2)cc1
InChIInChI=1S/C18H25N3/c1-3-18-19-10-11-21(18)13-15-4-6-16(7-5-15)14(2)12-20-17-8-9-17/h4-7,10-11,14,17,20H,3,8-9,12-13H2,1-2H3
InChIKeyRDPTTWJYOUERQP-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62222363
[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol
CID 110005702
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine
CID 62018191
N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346741
N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine
CID 81027997
N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
N-[2-[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346925
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 24715477

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine (CID 105348638) is N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine is CCc1nccn1Cc1ccc(C(C)CNC2CC2)cc1.
What is the InChIKey of N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine?
The InChIKey is RDPTTWJYOUERQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-18-19-10-11-21(18)13-15-4-6-16(7-5-15)14(2)12-20-17-8-9-17/h4-7,10-11,14,17,20H,3,8-9,12-13H2,1-2H3.
What are the key properties of N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine?
N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine has a molecular weight of 283.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-ethylimidazol-1-yl)methyl]phenyl]propyl]cyclopropanamine is sourced from PubChem (CID 105348638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).