N-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide

C12H25N3 — CID 129055916

IUPACN-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide
SMILESC=C(C)C(CC(C)C(C)N)N/C=N/CC
InChIInChI=1S/C12H25N3/c1-6-14-8-15-12(9(2)3)7-10(4)11(5)13/h8,10-12H,2,6-7,13H2,1,3-5H3,(H,14,15)
InChIKeyIOAVQHAPVWGNGK-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.94
Rot. Bonds7

About N-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide

N-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide (PubChem CID 129055916) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide.

Molecular Properties

Compound NameN-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide
PubChem CID129055916
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide
SMILESC=C(C)C(CC(C)C(C)N)N/C=N/CC
InChIInChI=1S/C12H25N3/c1-6-14-8-15-12(9(2)3)7-10(4)11(5)13/h8,10-12H,2,6-7,13H2,1,3-5H3,(H,14,15)
InChIKeyIOAVQHAPVWGNGK-UHFFFAOYSA-N
XLogP1.94
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide?
The IUPAC name of N-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide (CID 129055916) is N-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide.
What is the SMILES notation for N-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide?
The canonical SMILES for N-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide is C=C(C)C(CC(C)C(C)N)N/C=N/CC.
What is the InChIKey of N-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide?
The InChIKey is IOAVQHAPVWGNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-6-14-8-15-12(9(2)3)7-10(4)11(5)13/h8,10-12H,2,6-7,13H2,1,3-5H3,(H,14,15).
What are the key properties of N-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide?
N-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide has a molecular weight of 211.35 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,5-dimethylhept-1-en-3-yl)-N'-ethylmethanimidamide is sourced from PubChem (CID 129055916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).