N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide

C14H26N2 — CID 146593809

IUPACN-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide
SMILESCCCN/C=N/CC(C)(C)/C=C\C=C(C)C
InChIInChI=1S/C14H26N2/c1-6-10-15-12-16-11-14(4,5)9-7-8-13(2)3/h7-9,12H,6,10-11H2,1-5H3,(H,15,16)/b9-7-
InChIKeySBVCNJLUAYIXRA-CLFYSBASSA-N
MW222.38 g/mol
LogP3.56
Rot. Bonds7

About N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide

N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide (PubChem CID 146593809) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide.

Molecular Properties

Compound NameN-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide
PubChem CID146593809
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide
SMILESCCCN/C=N/CC(C)(C)/C=C\C=C(C)C
InChIInChI=1S/C14H26N2/c1-6-10-15-12-16-11-14(4,5)9-7-8-13(2)3/h7-9,12H,6,10-11H2,1-5H3,(H,15,16)/b9-7-
InChIKeySBVCNJLUAYIXRA-CLFYSBASSA-N
XLogP3.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide?
The IUPAC name of N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide (CID 146593809) is N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide.
What is the SMILES notation for N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide?
The canonical SMILES for N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide is CCCN/C=N/CC(C)(C)/C=C\C=C(C)C.
What is the InChIKey of N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide?
The InChIKey is SBVCNJLUAYIXRA-CLFYSBASSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-10-15-12-16-11-14(4,5)9-7-8-13(2)3/h7-9,12H,6,10-11H2,1-5H3,(H,15,16)/b9-7-.
What are the key properties of N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide?
N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide has a molecular weight of 222.38 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide is sourced from PubChem (CID 146593809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).