N-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine

C17H27N — CID 139353276

IUPACN-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine
SMILESC/C=C(C)\N=C(/CC)C1=CCCC(C)=C1CCC
InChIInChI=1S/C17H27N/c1-6-10-15-13(4)11-9-12-16(15)17(8-3)18-14(5)7-2/h7,12H,6,8-11H2,1-5H3/b14-7-,18-17+
InChIKeyDAGMCTLCHBJQCM-GEWJZZNKSA-N
MW245.41 g/mol
LogP5.60
Rot. Bonds5

About N-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine

N-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine (PubChem CID 139353276) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine
PubChem CID139353276
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine
SMILESC/C=C(C)\N=C(/CC)C1=CCCC(C)=C1CCC
InChIInChI=1S/C17H27N/c1-6-10-15-13(4)11-9-12-16(15)17(8-3)18-14(5)7-2/h7,12H,6,8-11H2,1-5H3/b14-7-,18-17+
InChIKeyDAGMCTLCHBJQCM-GEWJZZNKSA-N
XLogP5.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine (CID 139353276) is N-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine is C/C=C(C)\N=C(/CC)C1=CCCC(C)=C1CCC.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine?
The InChIKey is DAGMCTLCHBJQCM-GEWJZZNKSA-N. The full InChI is InChI=1S/C17H27N/c1-6-10-15-13(4)11-9-12-16(15)17(8-3)18-14(5)7-2/h7,12H,6,8-11H2,1-5H3/b14-7-,18-17+.
What are the key properties of N-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine?
N-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine has a molecular weight of 245.41 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-1-(5-methyl-6-propylcyclohexa-1,5-dien-1-yl)propan-1-imine is sourced from PubChem (CID 139353276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).