(2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide

C9H17N3 — CID 144787200

IUPAC(2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide
SMILES[H]/N=C(N)/C=C(/CC=C(C)C)NC
InChIInChI=1S/C9H17N3/c1-7(2)4-5-8(12-3)6-9(10)11/h4,6,12H,5H2,1-3H3,(H3,10,11)/b8-6-
InChIKeyIWAQBLQIVIOLDG-VURMDHGXSA-N
MW167.26 g/mol
LogP1.38
Rot. Bonds4

About (2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide

(2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide (PubChem CID 144787200) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide.

Molecular Properties

Compound Name(2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide
PubChem CID144787200
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide
SMILES[H]/N=C(N)/C=C(/CC=C(C)C)NC
InChIInChI=1S/C9H17N3/c1-7(2)4-5-8(12-3)6-9(10)11/h4,6,12H,5H2,1-3H3,(H3,10,11)/b8-6-
InChIKeyIWAQBLQIVIOLDG-VURMDHGXSA-N
XLogP1.38
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(methylamino)hept-2-enimidamide
CID 136478022
(Z)-3-[[(3E,5Z)-hepta-3,5-dien-3-yl]amino]prop-2-enimidamide
CID 137282310
(Z)-4-methyl-3-(methylamino)pent-2-enimidamide
CID 138655003
ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide
CID 144559577
(Z)-4,4-dimethyl-3-(methylamino)pent-2-enimidamide
CID 144787213
N'-[(3E)-4-methyl-5-(methylamino)hexa-1,3-dien-2-yl]prop-2-enimidamide
CID 154930903
(3-Amino-4,4-dimethylpent-2-enimidoyl)-methylazanium
CID 163794336
3-amino-N,N',4-trimethylpent-2-enimidamide
CID 173872592
(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide
CID 144559578
N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide
CID 172597543
(2Z,4E,7E)-4-amino-8-methyl-5-[2-(methylamino)ethenyl]-6-methylidenedeca-2,4,7-trienimidamide
CID 177354927

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide?
The IUPAC name of (2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide (CID 144787200) is (2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide.
What is the SMILES notation for (2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide?
The canonical SMILES for (2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide is [H]/N=C(N)/C=C(/CC=C(C)C)NC.
What is the InChIKey of (2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide?
The InChIKey is IWAQBLQIVIOLDG-VURMDHGXSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)4-5-8(12-3)6-9(10)11/h4,6,12H,5H2,1-3H3,(H3,10,11)/b8-6-.
What are the key properties of (2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide?
(2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-methyl-3-(methylamino)hepta-2,5-dienimidamide is sourced from PubChem (CID 144787200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).