N-(4-methylpent-3-enyl)propan-2-imine

C9H17N — CID 20677101

IUPACN-(4-methylpent-3-enyl)propan-2-imine
SMILESCC(C)=CCCN=C(C)C
InChIInChI=1S/C9H17N/c1-8(2)6-5-7-10-9(3)4/h6H,5,7H2,1-4H3
InChIKeyAXLXZPXBTAVPCC-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds3

About N-(4-methylpent-3-enyl)propan-2-imine

N-(4-methylpent-3-enyl)propan-2-imine (PubChem CID 20677101) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-(4-methylpent-3-enyl)propan-2-imine.

Molecular Properties

Compound NameN-(4-methylpent-3-enyl)propan-2-imine
PubChem CID20677101
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-(4-methylpent-3-enyl)propan-2-imine
SMILESCC(C)=CCCN=C(C)C
InChIInChI=1S/C9H17N/c1-8(2)6-5-7-10-9(3)4/h6H,5,7H2,1-4H3
InChIKeyAXLXZPXBTAVPCC-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
1,1,1-trifluoro-4-methyl-N-propylpent-3-en-2-imine
CID 138509578
t-Butyl(1,3-dimethyl-2-butenylidene)amine
CID 10975694
N-butan-2-yl-1,1,1-trifluoro-4-methylpent-3-en-2-imine
CID 143385706
(E)-N-ethyl-5,5,5-trifluoro-4-methylpent-3-en-2-imine
CID 162561088
2-Ethylimino-4-methyl-pent-3-enenitrile
CID 572298
4-methyl-N-propan-2-ylpent-3-en-2-imine
CID 12378513
3,5-dimethyl-2H-pyrrole
CID 20653105
N,4-dimethylpent-3-en-2-imine
CID 20725565
4,6-Dimethyl-2,3-dihydropyridine
CID 20753020
5,6-Dimethyl-2,3-dihydropyridine
CID 57840662
(Z)-N,3-dimethylpent-3-en-2-imine
CID 58274132

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpent-3-enyl)propan-2-imine?
The IUPAC name of N-(4-methylpent-3-enyl)propan-2-imine (CID 20677101) is N-(4-methylpent-3-enyl)propan-2-imine.
What is the SMILES notation for N-(4-methylpent-3-enyl)propan-2-imine?
The canonical SMILES for N-(4-methylpent-3-enyl)propan-2-imine is CC(C)=CCCN=C(C)C.
What is the InChIKey of N-(4-methylpent-3-enyl)propan-2-imine?
The InChIKey is AXLXZPXBTAVPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)6-5-7-10-9(3)4/h6H,5,7H2,1-4H3.
What are the key properties of N-(4-methylpent-3-enyl)propan-2-imine?
N-(4-methylpent-3-enyl)propan-2-imine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpent-3-enyl)propan-2-imine is sourced from PubChem (CID 20677101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).