methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium

C10H19N2+ — CID 59957987

IUPACmethyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium
SMILESCNC(C)=CC(C)=C/C(C)=[NH+]/C
InChIInChI=1S/C10H18N2/c1-8(6-9(2)11-4)7-10(3)12-5/h6-7,11H,1-5H3/p+1/b8-7?,9-6?,12-10+
InChIKeyRVWZHRQGNSYTJQ-OEZRMVIGSA-O
MW167.28 g/mol
LogP0.23
Rot. Bonds3

About methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium

methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium (PubChem CID 59957987) has the molecular formula C10H19N2+ and a molecular weight of 167.28 g/mol. Its IUPAC name is methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium.

Molecular Properties

Compound Namemethyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium
PubChem CID59957987
Molecular FormulaC10H19N2+
Molecular Weight167.28 g/mol
Exact Mass167.15
IUPAC Namemethyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium
SMILESCNC(C)=CC(C)=C/C(C)=[NH+]/C
InChIInChI=1S/C10H18N2/c1-8(6-9(2)11-4)7-10(3)12-5/h6-7,11H,1-5H3/p+1/b8-7?,9-6?,12-10+
InChIKeyRVWZHRQGNSYTJQ-OEZRMVIGSA-O
XLogP0.23
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-N-(Propan-2-yl)-4-[(propan-2-yl)imino]pent-2-en-2-amine
CID 71353734
N-Methyl-7-(methylimino)-1,3,5-cycloheptatrien-1-amine
CID 939724
2-(Methylamino)-4-(methylimino)-pentene-2
CID 14983634
(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
N-Methyl-4-(methylimino)-2-penten-2-amine
CID 72320248
(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 102023638
(Z)-N-propyl-4-propyliminopent-2-en-2-amine
CID 102026407
(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine
CID 138713182
(1E,3E)-4-fluoro-N-[(Z)-4-methyliminopent-2-en-2-yl]hexa-1,3,5-trien-1-amine
CID 156184118
(Z)-4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 11309750
(Z)-N,3-dimethyl-4-methyliminopent-2-en-2-amine
CID 18725311

Frequently Asked Questions

What is the IUPAC name of methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium?
The IUPAC name of methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium (CID 59957987) is methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium.
What is the SMILES notation for methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium?
The canonical SMILES for methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium is CNC(C)=CC(C)=C/C(C)=[NH+]/C.
What is the InChIKey of methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium?
The InChIKey is RVWZHRQGNSYTJQ-OEZRMVIGSA-O. The full InChI is InChI=1S/C10H18N2/c1-8(6-9(2)11-4)7-10(3)12-5/h6-7,11H,1-5H3/p+1/b8-7?,9-6?,12-10+.
What are the key properties of methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium?
methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium has a molecular weight of 167.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium is sourced from PubChem (CID 59957987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).