N-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine

C11H19N — CID 118081519

IUPACN-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine
SMILESC=CCC/C(C)=C(\C)N=C(C)C
InChIInChI=1S/C11H19N/c1-6-7-8-10(4)11(5)12-9(2)3/h6H,1,7-8H2,2-5H3/b11-10+
InChIKeyOGCXDHFIRLXSFF-ZHACJKMWSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds4

About N-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine

N-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine (PubChem CID 118081519) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine
PubChem CID118081519
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine
SMILESC=CCC/C(C)=C(\C)N=C(C)C
InChIInChI=1S/C11H19N/c1-6-7-8-10(4)11(5)12-9(2)3/h6H,1,7-8H2,2-5H3/b11-10+
InChIKeyOGCXDHFIRLXSFF-ZHACJKMWSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N,6-dimethylhept-5-en-2-imine
CID 58590796
2,3-dimethyl-5,7-bis(prop-1-enyl)-6H-1,4-diazepine
CID 59047620
2-[(Z)-but-1-enyl]-4,5-dimethyl-3H-pyrrole
CID 59879718
3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine
CID 88274729
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]propan-2-imine
CID 88529325
(3E,6Z)-4-ethyl-N-methyl-5-methylidenenona-3,6,8-trien-2-imine
CID 88575967
N-[(2E)-3,7-dimethylocta-2,6-dienyl]propan-2-imine
CID 88814104
N-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine
CID 89258689
4-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 89299679
(Z)-4,6-dimethyl-N-prop-1-en-2-ylhept-3-en-2-imine
CID 89319148
3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine
CID 90771096
2,3,7,8-Tetramethyl-4,5-dihydroazocine
CID 90771622

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine?
The IUPAC name of N-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine (CID 118081519) is N-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine.
What is the SMILES notation for N-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine?
The canonical SMILES for N-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine is C=CCC/C(C)=C(\C)N=C(C)C.
What is the InChIKey of N-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine?
The InChIKey is OGCXDHFIRLXSFF-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H19N/c1-6-7-8-10(4)11(5)12-9(2)3/h6H,1,7-8H2,2-5H3/b11-10+.
What are the key properties of N-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine?
N-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine is sourced from PubChem (CID 118081519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).