1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one

C13H21N3O — CID 116557654

IUPAC1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
SMILESCCCn1ccnc1CC(=O)CNCC1CC1
InChIInChI=1S/C13H21N3O/c1-2-6-16-7-5-15-13(16)8-12(17)10-14-9-11-3-4-11/h5,7,11,14H,2-4,6,8-10H2,1H3
InChIKeyYSNCRNFWKMSUNO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.40
Rot. Bonds8

About 1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one

1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one (PubChem CID 116557654) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
PubChem CID116557654
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one
SMILESCCCn1ccnc1CC(=O)CNCC1CC1
InChIInChI=1S/C13H21N3O/c1-2-6-16-7-5-15-13(16)8-12(17)10-14-9-11-3-4-11/h5,7,11,14H,2-4,6,8-10H2,1H3
InChIKeyYSNCRNFWKMSUNO-UHFFFAOYSA-N
XLogP1.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohex-3-en-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 55153468
4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
CID 115345722
1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588500
1-(2-aminoethoxy)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116590952
N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 62567010
4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126176
1-(2-methylpropylsulfanyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744194
5-amino-5-methyl-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116571370
1-butan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744286
1-(5-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784823
1-(cyclohexen-1-yl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 116659612
2-[(3-chlorocyclopentyl)methyl]-1-propylimidazole
CID 79761339

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one (CID 116557654) is 1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one is CCCn1ccnc1CC(=O)CNCC1CC1.
What is the InChIKey of 1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one?
The InChIKey is YSNCRNFWKMSUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-6-16-7-5-15-13(16)8-12(17)10-14-9-11-3-4-11/h5,7,11,14H,2-4,6,8-10H2,1H3.
What are the key properties of 1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one?
1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylamino)-3-(1-propylimidazol-2-yl)propan-2-one is sourced from PubChem (CID 116557654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).