butyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide

C10H14N- — CID 20753901

IUPACbutyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide
SMILESCCCC[N-]C=C1C=CC=C1
InChIInChI=1S/C10H14N/c1-2-3-8-11-9-10-6-4-5-7-10/h4-7,9H,2-3,8H2,1H3/q-1
InChIKeyNTOSLIVXKGHSCA-UHFFFAOYSA-N
MW148.23 g/mol
LogP3.17
Rot. Bonds4

About butyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide

butyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide (PubChem CID 20753901) has the molecular formula C10H14N- and a molecular weight of 148.23 g/mol. Its IUPAC name is butyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide.

Molecular Properties

Compound Namebutyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide
PubChem CID20753901
Molecular FormulaC10H14N-
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC Namebutyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide
SMILESCCCC[N-]C=C1C=CC=C1
InChIInChI=1S/C10H14N/c1-2-3-8-11-9-10-6-4-5-7-10/h4-7,9H,2-3,8H2,1H3/q-1
InChIKeyNTOSLIVXKGHSCA-UHFFFAOYSA-N
XLogP3.17
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-(Dimethylamino)fulvene
CID 136523
(N,N-dimethylaminoethyl)cyclopentadiene
CID 12154709
3-Ethyl-1-methyl-1,2-dihydropyridine
CID 12506166
(E)-6-[2-(dimethylamino)ethenyl]-fulvene
CID 13280603
1,3,5-Collidin
CID 22046103
2-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine
CID 12161648
2-Propenyl-pentadienyl-dimethylamin
CID 129649470
1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+)
CID 138962357
1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylmethanamine fluoride
CID 139243611
(1Z)-1-cyclohexa-2,4-dien-1-ylidene-N,N-dimethylmethanamine
CID 164673616
4-Cyclopenta-2,4-dien-1-ylidene-1-methylpyridine
CID 85734101
1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine
CID 102083

Frequently Asked Questions

What is the IUPAC name of butyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide?
The IUPAC name of butyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide (CID 20753901) is butyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide.
What is the SMILES notation for butyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide?
The canonical SMILES for butyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide is CCCC[N-]C=C1C=CC=C1.
What is the InChIKey of butyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide?
The InChIKey is NTOSLIVXKGHSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N/c1-2-3-8-11-9-10-6-4-5-7-10/h4-7,9H,2-3,8H2,1H3/q-1.
What are the key properties of butyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide?
butyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide has a molecular weight of 148.23 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(cyclopenta-2,4-dien-1-ylidenemethyl)azanide is sourced from PubChem (CID 20753901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).