N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine

C13H23N3 — CID 81019314

IUPACN-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine
SMILESCCCn1ccnc1C(C)CCNC1CC1
InChIInChI=1S/C13H23N3/c1-3-9-16-10-8-15-13(16)11(2)6-7-14-12-4-5-12/h8,10-12,14H,3-7,9H2,1-2H3
InChIKeyFUVDEFWDZAAIDS-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.54
Rot. Bonds7

About N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine

N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine (PubChem CID 81019314) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine
PubChem CID81019314
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine
SMILESCCCn1ccnc1C(C)CCNC1CC1
InChIInChI=1S/C13H23N3/c1-3-9-16-10-8-15-13(16)11(2)6-7-14-12-4-5-12/h8,10-12,14H,3-7,9H2,1-2H3
InChIKeyFUVDEFWDZAAIDS-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine
CID 81018634
4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine
CID 62563536
N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexanamine
CID 55087304
1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 80603549
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-[3-(2-ethylpyrazol-3-yl)butyl]cyclopropanamine
CID 81020228
N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 65140274
N-[(1R)-1-(1-ethylimidazol-2-yl)ethyl]cyclopropanamine
CID 97177377
N-[3-methyl-5-(1-methylimidazol-2-yl)pentyl]cyclopropanamine
CID 114532982
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63967916
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine (CID 81019314) is N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine is CCCn1ccnc1C(C)CCNC1CC1.
What is the InChIKey of N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine?
The InChIKey is FUVDEFWDZAAIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-9-16-10-8-15-13(16)11(2)6-7-14-12-4-5-12/h8,10-12,14H,3-7,9H2,1-2H3.
What are the key properties of N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine?
N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine has a molecular weight of 221.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine is sourced from PubChem (CID 81019314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).