N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine

C18H25N3 — CID 81027997

IUPACN-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine
SMILESCCn1ccnc1CCC(CNC1CC1)c1ccccc1
InChIInChI=1S/C18H25N3/c1-2-21-13-12-19-18(21)11-8-16(14-20-17-9-10-17)15-6-4-3-5-7-15/h3-7,12-13,16-17,20H,2,8-11,14H2,1H3
InChIKeyNXIHUDIWRZAYQX-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.37
Rot. Bonds8

About N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine

N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine (PubChem CID 81027997) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine
PubChem CID81027997
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine
SMILESCCn1ccnc1CCC(CNC1CC1)c1ccccc1
InChIInChI=1S/C18H25N3/c1-2-21-13-12-19-18(21)11-8-16(14-20-17-9-10-17)15-6-4-3-5-7-15/h3-7,12-13,16-17,20H,2,8-11,14H2,1H3
InChIKeyNXIHUDIWRZAYQX-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethylimidazol-2-yl)-2-phenylbutanoic acid
CID 81009407
4-(1-ethylimidazol-2-yl)-N-methyl-1-phenylbutan-1-amine
CID 79761574
N-(2-phenylnonyl)cyclopropanamine
CID 65431169
N-(2-phenylbutyl)cyclopentanamine
CID 60664890
N-[4-(5-bromo-2-pyridinyl)-2-phenylbutyl]cyclopropanamine
CID 104813898
N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
CID 115641638
N-(2-phenylhex-5-ynyl)cyclopropanamine
CID 81024680
N-(2-phenylhex-5-enyl)cyclopropanamine
CID 81024536
1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62357775
N-[3-(4-ethylphenyl)-2-phenylpropyl]cyclopropanamine
CID 65430983
N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033575
2-(3-bromobutyl)-1-ethylimidazole
CID 64509820

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine (CID 81027997) is N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine is CCn1ccnc1CCC(CNC1CC1)c1ccccc1.
What is the InChIKey of N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine?
The InChIKey is NXIHUDIWRZAYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-21-13-12-19-18(21)11-8-16(14-20-17-9-10-17)15-6-4-3-5-7-15/h3-7,12-13,16-17,20H,2,8-11,14H2,1H3.
What are the key properties of N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine?
N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine has a molecular weight of 283.42 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethylimidazol-2-yl)-2-phenylbutyl]cyclopropanamine is sourced from PubChem (CID 81027997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).