1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine

C9H15N3 — CID 166953787

IUPAC1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine
SMILESC=N/C(=N\C)N(C)C(=C)/C=C\C
InChIInChI=1S/C9H15N3/c1-6-7-8(2)12(5)9(10-3)11-4/h6-7H,2-3H2,1,4-5H3/b7-6-,11-9+
InChIKeyIOIRCKGFPYIECF-SXWITGCCSA-N
MW165.24 g/mol
LogP1.69
Rot. Bonds2

About 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine

1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine (PubChem CID 166953787) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine
PubChem CID166953787
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine
SMILESC=N/C(=N\C)N(C)C(=C)/C=C\C
InChIInChI=1S/C9H15N3/c1-6-7-8(2)12(5)9(10-3)11-4/h6-7H,2-3H2,1,4-5H3/b7-6-,11-9+
InChIKeyIOIRCKGFPYIECF-SXWITGCCSA-N
XLogP1.69
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-N-methyl-N-propan-2-ylpenta-1,3-dien-2-amine
CID 130272029
(5Z)-N-methyl-4-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hepta-1,5-dien-2-amine
CID 118973859
(3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine
CID 155240504
1-N,3-N-dimethyl-3-N-[(3Z)-penta-1,3-dien-2-yl]-1-N-(trifluoromethyl)but-3-ene-1,3-diamine
CID 162586583
(Z)-1,1-difluoro-N-methylpent-3-en-2-imine
CID 138552264
N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
CID 142024133
(3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine
CID 146321112
4-(ethylideneamino)-N,N-dimethylbuta-1,3-dien-2-amine
CID 123366460
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
N-methyl-N-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenamine
CID 170123131
(3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine
CID 130331308
acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine
CID 142835629

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine?
The IUPAC name of 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine (CID 166953787) is 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine is C=N/C(=N\C)N(C)C(=C)/C=C\C.
What is the InChIKey of 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine?
The InChIKey is IOIRCKGFPYIECF-SXWITGCCSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-7-8(2)12(5)9(10-3)11-4/h6-7H,2-3H2,1,4-5H3/b7-6-,11-9+.
What are the key properties of 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine?
1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine has a molecular weight of 165.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine is sourced from PubChem (CID 166953787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).