butyl-ethylidene-(4-methylhex-1-enyl)azanium

C13H26N+ — CID 123794813

IUPACbutyl-ethylidene-(4-methylhex-1-enyl)azanium
SMILESC/C=[N+](/C=CCC(C)CC)CCCC
InChIInChI=1S/C13H26N/c1-5-8-11-14(7-3)12-9-10-13(4)6-2/h7,9,12-13H,5-6,8,10-11H2,1-4H3/q+1/b12-9?,14-7+
InChIKeyBASZKHCPYVRVCM-NDEBTOIRSA-N
MW196.36 g/mol
LogP3.84
Rot. Bonds7

About butyl-ethylidene-(4-methylhex-1-enyl)azanium

butyl-ethylidene-(4-methylhex-1-enyl)azanium (PubChem CID 123794813) has the molecular formula C13H26N+ and a molecular weight of 196.36 g/mol. Its IUPAC name is butyl-ethylidene-(4-methylhex-1-enyl)azanium.

Molecular Properties

Compound Namebutyl-ethylidene-(4-methylhex-1-enyl)azanium
PubChem CID123794813
Molecular FormulaC13H26N+
Molecular Weight196.36 g/mol
Exact Mass196.21
IUPAC Namebutyl-ethylidene-(4-methylhex-1-enyl)azanium
SMILESC/C=[N+](/C=CCC(C)CC)CCCC
InChIInChI=1S/C13H26N/c1-5-8-11-14(7-3)12-9-10-13(4)6-2/h7,9,12-13H,5-6,8,10-11H2,1-4H3/q+1/b12-9?,14-7+
InChIKeyBASZKHCPYVRVCM-NDEBTOIRSA-N
XLogP3.84
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N-Diisobutyl-2-ethylpent-4-en-1-iminium bromide
CID 86714716
N-[(E)-3-ethenylhex-1-enyl]ethanimine
CID 89064164
(4R)-1,4-dimethyl-5-propan-2-yl-4,5-dihydro-3H-azepin-1-ium
CID 89365642
(7Z)-1,4,6-trimethyl-3,4,5,6-tetrahydroazocin-1-ium
CID 89513959
butyl-[(Z)-3,4-dimethylpent-1-enyl]-ethylideneazanium
CID 89659153
3-butyl-1-methyl-3H-pyrrol-1-ium
CID 101794692
1-(3,4-dihydropyridin-4-yl)-N,N-dimethylmethanamine
CID 123177997
Butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium
CID 123189357
N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine
CID 123324348
Ethylidene-methyl-(4-methylpent-1-enyl)azanium
CID 123393465
1,3-Diethyl-4-methyl-3,4-dihydropyridin-1-ium
CID 123422830
1-butyl-3-ethyl-4-methyl-6,7-dihydro-3H-1,5-diazonin-1-ium
CID 124029688

Frequently Asked Questions

What is the IUPAC name of butyl-ethylidene-(4-methylhex-1-enyl)azanium?
The IUPAC name of butyl-ethylidene-(4-methylhex-1-enyl)azanium (CID 123794813) is butyl-ethylidene-(4-methylhex-1-enyl)azanium.
What is the SMILES notation for butyl-ethylidene-(4-methylhex-1-enyl)azanium?
The canonical SMILES for butyl-ethylidene-(4-methylhex-1-enyl)azanium is C/C=[N+](/C=CCC(C)CC)CCCC.
What is the InChIKey of butyl-ethylidene-(4-methylhex-1-enyl)azanium?
The InChIKey is BASZKHCPYVRVCM-NDEBTOIRSA-N. The full InChI is InChI=1S/C13H26N/c1-5-8-11-14(7-3)12-9-10-13(4)6-2/h7,9,12-13H,5-6,8,10-11H2,1-4H3/q+1/b12-9?,14-7+.
What are the key properties of butyl-ethylidene-(4-methylhex-1-enyl)azanium?
butyl-ethylidene-(4-methylhex-1-enyl)azanium has a molecular weight of 196.36 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethylidene-(4-methylhex-1-enyl)azanium is sourced from PubChem (CID 123794813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).