2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine

C10H19N3 — CID 91452007

IUPAC2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine
SMILESC/N=C(\N)N=C(C)/C=C/CC(C)C
InChIInChI=1S/C10H19N3/c1-8(2)6-5-7-9(3)13-10(11)12-4/h5,7-8H,6H2,1-4H3,(H2,11,12)/b7-5+,13-9?
InChIKeyMIFWAEOTPPPWOZ-LRLJXENZSA-N
MW181.28 g/mol
LogP1.99
Rot. Bonds3

About 2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine

2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine (PubChem CID 91452007) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine
PubChem CID91452007
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine
SMILESC/N=C(\N)N=C(C)/C=C/CC(C)C
InChIInChI=1S/C10H19N3/c1-8(2)6-5-7-9(3)13-10(11)12-4/h5,7-8H,6H2,1-4H3,(H2,11,12)/b7-5+,13-9?
InChIKeyMIFWAEOTPPPWOZ-LRLJXENZSA-N
XLogP1.99
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine?
The IUPAC name of 2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine (CID 91452007) is 2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine.
What is the SMILES notation for 2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine?
The canonical SMILES for 2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine is C/N=C(\N)N=C(C)/C=C/CC(C)C.
What is the InChIKey of 2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine?
The InChIKey is MIFWAEOTPPPWOZ-LRLJXENZSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)6-5-7-9(3)13-10(11)12-4/h5,7-8H,6H2,1-4H3,(H2,11,12)/b7-5+,13-9?.
What are the key properties of 2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine?
2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine has a molecular weight of 181.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(E)-6-methylhept-3-en-2-ylidene]guanidine is sourced from PubChem (CID 91452007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).