N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine

C18H25N3 — CID 79739257

IUPACN-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCCCn1ccnc1Cc1ccc(CNC2CC2)cc1C
InChIInChI=1S/C18H25N3/c1-3-9-21-10-8-19-18(21)12-16-5-4-15(11-14(16)2)13-20-17-6-7-17/h4-5,8,10-11,17,20H,3,6-7,9,12-13H2,1-2H3
InChIKeyKQCNMYWOBHHGKQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.44
Rot. Bonds7

About N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine

N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 79739257) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID79739257
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCCCn1ccnc1Cc1ccc(CNC2CC2)cc1C
InChIInChI=1S/C18H25N3/c1-3-9-21-10-8-19-18(21)12-16-5-4-15(11-14(16)2)13-20-17-6-7-17/h4-5,8,10-11,17,20H,3,6-7,9,12-13H2,1-2H3
InChIKeyKQCNMYWOBHHGKQ-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 79825179
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533
N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63974152
N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975818
N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine
CID 62018191
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79737937
N-[[3-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975192
N-[[3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 62737898
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162327
3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine (CID 79739257) is N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine is CCCn1ccnc1Cc1ccc(CNC2CC2)cc1C.
What is the InChIKey of N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is KQCNMYWOBHHGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-9-21-10-8-19-18(21)12-16-5-4-15(11-14(16)2)13-20-17-6-7-17/h4-5,8,10-11,17,20H,3,6-7,9,12-13H2,1-2H3.
What are the key properties of N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine?
N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 283.42 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 79739257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).