cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen

C18H29N3 — CID 142915832

IUPACcyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen
SMILESCC.NC1CC1.[H]/N=C/C=C\C(=C)NC(=C)c1ccccc1.[H][H]
InChIInChI=1S/C13H14N2.C3H7N.C2H6.H2/c1-11(7-6-10-14)15-12(2)13-8-4-3-5-9-13;4-3-1-2-3;1-2;/h3-10,14-15H,1-2H2;3H,1-2,4H2;1-2H3;1H/b7-6-,14-10+;;;
InChIKeyIIKYBVCIUFJLQL-UHBPBKKCSA-N
MW287.45 g/mol
LogP4.35
Rot. Bonds5

About cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen

cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen (PubChem CID 142915832) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen.

Molecular Properties

Compound Namecyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen
PubChem CID142915832
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Namecyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen
SMILESCC.NC1CC1.[H]/N=C/C=C\C(=C)NC(=C)c1ccccc1.[H][H]
InChIInChI=1S/C13H14N2.C3H7N.C2H6.H2/c1-11(7-6-10-14)15-12(2)13-8-4-3-5-9-13;4-3-1-2-3;1-2;/h3-10,14-15H,1-2H2;3H,1-2,4H2;1-2H3;1H/b7-6-,14-10+;;;
InChIKeyIIKYBVCIUFJLQL-UHBPBKKCSA-N
XLogP4.35
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

(3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen
CID 143231030
methane;molecular hydrogen;N-(1-phenylethenyl)acetamide
CID 159750182
1-phenylethenylcarbamic acid
CID 70424061
ethane;(Z)-3-phenylbut-2-en-1-imine
CID 142990186
ethane;molecular hydrogen;1-phenylethenamine
CID 156816097
benzenecarboximidamide;toluene
CID 158219006
N-hexa-1,3,5-trien-2-ylbenzamide
CID 123631469
benzenecarboximidamide;sulfane
CID 172701796
benzenecarboximidamide;hydron;chloride
CID 66824376
(3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol
CID 170270040
N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine
CID 78921499
benzenecarboximidamide;trimethylsulfanium;chloride
CID 158339380

Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen?
The IUPAC name of cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen (CID 142915832) is cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen.
What is the SMILES notation for cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen?
The canonical SMILES for cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen is CC.NC1CC1.[H]/N=C/C=C\C(=C)NC(=C)c1ccccc1.[H][H].
What is the InChIKey of cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen?
The InChIKey is IIKYBVCIUFJLQL-UHBPBKKCSA-N. The full InChI is InChI=1S/C13H14N2.C3H7N.C2H6.H2/c1-11(7-6-10-14)15-12(2)13-8-4-3-5-9-13;4-3-1-2-3;1-2;/h3-10,14-15H,1-2H2;3H,1-2,4H2;1-2H3;1H/b7-6-,14-10+;;;.
What are the key properties of cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen?
cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen has a molecular weight of 287.45 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;ethane;(3Z)-5-imino-N-(1-phenylethenyl)penta-1,3-dien-2-amine;molecular hydrogen is sourced from PubChem (CID 142915832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).