N-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine

C12H21N — CID 142934734

IUPACN-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine
SMILESCC/C=C/N=C/C(CCC)=C(C)C
InChIInChI=1S/C12H21N/c1-5-7-9-13-10-12(8-6-2)11(3)4/h7,9-10H,5-6,8H2,1-4H3/b9-7+,13-10+
InChIKeyATVZWHMCVMEYLD-IJQSQKGZSA-N
MW179.31 g/mol
LogP4.12
Rot. Bonds5

About N-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine

N-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine (PubChem CID 142934734) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine
PubChem CID142934734
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine
SMILESCC/C=C/N=C/C(CCC)=C(C)C
InChIInChI=1S/C12H21N/c1-5-7-9-13-10-12(8-6-2)11(3)4/h7,9-10H,5-6,8H2,1-4H3/b9-7+,13-10+
InChIKeyATVZWHMCVMEYLD-IJQSQKGZSA-N
XLogP4.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 54.12
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

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
6-[(Z)-3-fluoro-2-methylprop-1-enyl]-5-methyl-4H-azepine
CID 142943295
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855
(E)-N-[(Z)-1-fluoropent-1-enyl]-3-methylhex-2-en-1-imine
CID 173678455
3,6-ditert-butyl-4H-azepine
CID 14927387
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(2Z,4E,5Z)-N,3-bis(ethenyl)-4-ethylidene-2-fluorohepta-2,5-dien-1-imine
CID 144769687
3-Pentylazocine
CID 57204352
(2E)-N-butyl-2-methyl-6-methylideneocta-2,7-dien-1-imine
CID 60138487
(2E,6E)-N-butyl-2,6-dimethyl-10-methylidenedodeca-2,6,11-trien-1-imine
CID 60138502

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine?
The IUPAC name of N-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine (CID 142934734) is N-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine.
What is the SMILES notation for N-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine?
The canonical SMILES for N-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine is CC/C=C/N=C/C(CCC)=C(C)C.
What is the InChIKey of N-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine?
The InChIKey is ATVZWHMCVMEYLD-IJQSQKGZSA-N. The full InChI is InChI=1S/C12H21N/c1-5-7-9-13-10-12(8-6-2)11(3)4/h7,9-10H,5-6,8H2,1-4H3/b9-7+,13-10+.
What are the key properties of N-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine?
N-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine has a molecular weight of 179.31 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-1-enyl]-2-propan-2-ylidenepentan-1-imine is sourced from PubChem (CID 142934734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).