N-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride

C18H25Cl2N3O — CID 135351406

IUPACN-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride
SMILESCC/C(=C\c1ccccc1)C1CC1NCc1coc(CN)n1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-2-14(8-13-6-4-3-5-7-13)16-9-17(16)20-11-15-12-22-18(10-19)21-15;;/h3-8,12,16-17,20H,2,9-11,19H2,1H3;2*1H/b14-8+;;
InChIKeyLDZXRSMFULAYCH-JPMXUBAOSA-N
MW370.32 g/mol
LogP3.95
Rot. Bonds7

About N-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride

N-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride (PubChem CID 135351406) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride
PubChem CID135351406
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC NameN-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride
SMILESCC/C(=C\c1ccccc1)C1CC1NCc1coc(CN)n1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-2-14(8-13-6-4-3-5-7-13)16-9-17(16)20-11-15-12-22-18(10-19)21-15;;/h3-8,12,16-17,20H,2,9-11,19H2,1H3;2*1H/b14-8+;;
InChIKeyLDZXRSMFULAYCH-JPMXUBAOSA-N
XLogP3.95
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2R)-N-[[2-(aminomethyl)-3-pyridinyl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride
CID 135351491
2,2-dimethyl-N'-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]propane-1,3-diamine;dihydrochloride
CID 135351344
trans-(1R,2S)-N-[[2-(aminomethyl)-3-pyridinyl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine
CID 122650162
N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride
CID 138677733
trans-(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine
CID 122641422
trans-(1R,2S)-N-[(3-methylazetidin-3-yl)methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine
CID 122648914
N-[[1-(azetidin-3-yl)pyrazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine
CID 138677759
4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-one;hydrochloride
CID 122641252
4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-one
CID 122641251
2-[[[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]benzoic acid;dihydrochloride
CID 122641273
[4-[[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]methyl]cyclohexyl]carbamic acid
CID 122641259
[4-[[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]methyl]cyclohexyl]carbamic acid
CID 122641260

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride?
The IUPAC name of N-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride (CID 135351406) is N-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride.
What is the SMILES notation for N-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride?
The canonical SMILES for N-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride is CC/C(=C\c1ccccc1)C1CC1NCc1coc(CN)n1.Cl.Cl.
What is the InChIKey of N-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride?
The InChIKey is LDZXRSMFULAYCH-JPMXUBAOSA-N. The full InChI is InChI=1S/C18H23N3O.2ClH/c1-2-14(8-13-6-4-3-5-7-13)16-9-17(16)20-11-15-12-22-18(10-19)21-15;;/h3-8,12,16-17,20H,2,9-11,19H2,1H3;2*1H/b14-8+;;.
What are the key properties of N-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride?
N-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride has a molecular weight of 370.32 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1,3-oxazol-4-yl]methyl]-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;dihydrochloride is sourced from PubChem (CID 135351406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).