methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium

C8H17N2+ — CID 59955792

IUPACmethyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
SMILESCNC(C)=C(C)/C(C)=[NH+]/C
InChIInChI=1S/C8H16N2/c1-6(7(2)9-4)8(3)10-5/h9H,1-5H3/p+1/b7-6?,10-8+
InChIKeyFOGFCGTWIGCISK-NACQSJNXSA-O
MW141.24 g/mol
LogP-0.33
Rot. Bonds2

About methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium

methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium (PubChem CID 59955792) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium.

Molecular Properties

Compound Namemethyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
PubChem CID59955792
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Namemethyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
SMILESCNC(C)=C(C)/C(C)=[NH+]/C
InChIInChI=1S/C8H16N2/c1-6(7(2)9-4)8(3)10-5/h9H,1-5H3/p+1/b7-6?,10-8+
InChIKeyFOGFCGTWIGCISK-NACQSJNXSA-O
XLogP-0.33
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,3-dimethyl-4-methyliminopent-2-en-2-amine
CID 18725311
N,N,3-trimethyl-4-methyliminopent-2-en-2-amine
CID 57587526
[(Z)-4-(dimethylamino)-3-methylpent-3-en-2-ylidene]-dimethylazanium
CID 58939582
(Z)-3-methyl-4-methyliminopent-2-en-2-amine
CID 59104563
N,4-dimethyl-6-methyliminohepta-2,4-dien-2-amine
CID 59886162
methyl-[(Z)-3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium
CID 59932858
N,3-dimethyl-4-methyliminopent-2-en-2-amine
CID 59955793
Methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium
CID 59957987
3-Methyl-4-methyliminopent-2-en-2-amine
CID 72517933
4,5,6-Trimethyl-1,2-dihydropyrimidine
CID 118973336
(Z)-N-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine
CID 126613746
N-tert-butyl-4-tert-butylimino-3-methylpent-2-en-2-amine
CID 126613747

Frequently Asked Questions

What is the IUPAC name of methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium?
The IUPAC name of methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium (CID 59955792) is methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium.
What is the SMILES notation for methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium?
The canonical SMILES for methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium is CNC(C)=C(C)/C(C)=[NH+]/C.
What is the InChIKey of methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium?
The InChIKey is FOGFCGTWIGCISK-NACQSJNXSA-O. The full InChI is InChI=1S/C8H16N2/c1-6(7(2)9-4)8(3)10-5/h9H,1-5H3/p+1/b7-6?,10-8+.
What are the key properties of methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium?
methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium has a molecular weight of 141.24 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-methyl-4-(methylamino)pent-3-en-2-ylidene]azanium is sourced from PubChem (CID 59955792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).