N,4,6-trimethyl-2-methyliminohept-5-en-3-amine

C11H22N2 — CID 123794549

IUPACN,4,6-trimethyl-2-methyliminohept-5-en-3-amine
SMILESC/N=C(\C)C(NC)C(C)C=C(C)C
InChIInChI=1S/C11H22N2/c1-8(2)7-9(3)11(13-6)10(4)12-5/h7,9,11,13H,1-6H3/b12-10+
InChIKeyDSKXZBFIISBKNZ-ZRDIBKRKSA-N
MW182.31 g/mol
LogP2.27
Rot. Bonds4

About N,4,6-trimethyl-2-methyliminohept-5-en-3-amine

N,4,6-trimethyl-2-methyliminohept-5-en-3-amine (PubChem CID 123794549) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,4,6-trimethyl-2-methyliminohept-5-en-3-amine.

Molecular Properties

Compound NameN,4,6-trimethyl-2-methyliminohept-5-en-3-amine
PubChem CID123794549
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,4,6-trimethyl-2-methyliminohept-5-en-3-amine
SMILESC/N=C(\C)C(NC)C(C)C=C(C)C
InChIInChI=1S/C11H22N2/c1-8(2)7-9(3)11(13-6)10(4)12-5/h7,9,11,13H,1-6H3/b12-10+
InChIKeyDSKXZBFIISBKNZ-ZRDIBKRKSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine
CID 146537270
(Z)-N,6-dimethyl-4-methyliminohept-2-en-2-amine
CID 88953345
3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine
CID 90691312
(4Z,7Z)-6-ethylimino-N,2-dimethyl-7-propan-2-ylnona-4,7-dien-1-amine
CID 123139515
N-methyl-1-(3,4,5-trimethyl-4H-azepin-7-yl)ethanamine
CID 123368831
N-methyl-2-(3-methyl-4-methyliminocyclopent-2-en-1-yl)ethanamine
CID 123472772
1-(4-Methyldeca-5,8-dien-2-ylideneamino)ethanamine
CID 123847360
N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine
CID 123919390
(Z)-2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613744
2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613745
2-Methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
CID 131966479
(E)-N,3,5,7-tetramethyloct-4-en-2-amine
CID 142033968

Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-2-methyliminohept-5-en-3-amine?
The IUPAC name of N,4,6-trimethyl-2-methyliminohept-5-en-3-amine (CID 123794549) is N,4,6-trimethyl-2-methyliminohept-5-en-3-amine.
What is the SMILES notation for N,4,6-trimethyl-2-methyliminohept-5-en-3-amine?
The canonical SMILES for N,4,6-trimethyl-2-methyliminohept-5-en-3-amine is C/N=C(\C)C(NC)C(C)C=C(C)C.
What is the InChIKey of N,4,6-trimethyl-2-methyliminohept-5-en-3-amine?
The InChIKey is DSKXZBFIISBKNZ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)7-9(3)11(13-6)10(4)12-5/h7,9,11,13H,1-6H3/b12-10+.
What are the key properties of N,4,6-trimethyl-2-methyliminohept-5-en-3-amine?
N,4,6-trimethyl-2-methyliminohept-5-en-3-amine has a molecular weight of 182.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-2-methyliminohept-5-en-3-amine is sourced from PubChem (CID 123794549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).