N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide

C9H18N2 — CID 144974257

IUPACN-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide
SMILES[H]/N=C/N(C)C(=C)CCC(C)C
InChIInChI=1S/C9H18N2/c1-8(2)5-6-9(3)11(4)7-10/h7-8,10H,3,5-6H2,1-2,4H3/b10-7+
InChIKeyTVFHUCHRZQPCQI-JXMROGBWSA-N
MW154.26 g/mol
LogP2.48
Rot. Bonds5

About N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide

N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide (PubChem CID 144974257) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide
PubChem CID144974257
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide
SMILES[H]/N=C/N(C)C(=C)CCC(C)C
InChIInChI=1S/C9H18N2/c1-8(2)5-6-9(3)11(4)7-10/h7-8,10H,3,5-6H2,1-2,4H3/b10-7+
InChIKeyTVFHUCHRZQPCQI-JXMROGBWSA-N
XLogP2.48
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.48
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 N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide?
The IUPAC name of N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide (CID 144974257) is N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide.
What is the SMILES notation for N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide?
The canonical SMILES for N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide is [H]/N=C/N(C)C(=C)CCC(C)C.
What is the InChIKey of N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide?
The InChIKey is TVFHUCHRZQPCQI-JXMROGBWSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)5-6-9(3)11(4)7-10/h7-8,10H,3,5-6H2,1-2,4H3/b10-7+.
What are the key properties of N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide?
N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methylhex-1-en-2-yl)methanimidamide is sourced from PubChem (CID 144974257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).