N-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine

C12H19N — CID 102321768

IUPACN-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine
SMILESCCCC1=CC(C)C=C1N=C(C)C
InChIInChI=1S/C12H19N/c1-5-6-11-7-10(4)8-12(11)13-9(2)3/h7-8,10H,5-6H2,1-4H3
InChIKeyAYBDLYLSQLRASR-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.73
Rot. Bonds3

About N-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine

N-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine (PubChem CID 102321768) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine.

Molecular Properties

Compound NameN-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine
PubChem CID102321768
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine
SMILESCCCC1=CC(C)C=C1N=C(C)C
InChIInChI=1S/C12H19N/c1-5-6-11-7-10(4)8-12(11)13-9(2)3/h7-8,10H,5-6H2,1-4H3
InChIKeyAYBDLYLSQLRASR-UHFFFAOYSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.73
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

2,3-diethyl-5-methylcyclopenta-1,3-diene
CID 152862708
1-methyl-2-(2-propylcycloprop-2-en-1-yl)hydrazine
CID 129157235
N'-(4-propylphenyl)cyclopropanecarboximidamide
CID 63176140
ethane;6-methyl-8-propyl-5,6-dihydronaphthalen-1-ol
CID 170960138
3a,4,5,6-tetrapropyl-1,7a-dihydroindene
CID 102576699
4-amino-6-methyl-2-propylcyclohexa-2,4-dien-1-ol
CID 163779924
1,5-dimethyl-3-propylcyclopenta-1,3-diene
CID 18798416
3-methyl-5-propyl-3,6-dihydro-2H-pyran-6-ol
CID 18783517
ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene
CID 142361347
N-[4-[[4-(propan-2-ylideneamino)phenyl]methyl]phenyl]propan-2-imine
CID 90443817
2,3,5,6-tetrachloro-4-propylphenol
CID 88821235
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine?
The IUPAC name of N-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine (CID 102321768) is N-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine.
What is the SMILES notation for N-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine?
The canonical SMILES for N-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine is CCCC1=CC(C)C=C1N=C(C)C.
What is the InChIKey of N-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine?
The InChIKey is AYBDLYLSQLRASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-5-6-11-7-10(4)8-12(11)13-9(2)3/h7-8,10H,5-6H2,1-4H3.
What are the key properties of N-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine?
N-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine has a molecular weight of 177.29 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-propylcyclopenta-1,4-dien-1-yl)propan-2-imine is sourced from PubChem (CID 102321768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).