N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine

C14H26N2 — CID 123494328

IUPACN-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine
SMILESC=CCCCCC(=C)N(C)C/C(CC)=N/C
InChIInChI=1S/C14H26N2/c1-6-8-9-10-11-13(3)16(5)12-14(7-2)15-4/h6H,1,3,7-12H2,2,4-5H3/b15-14+
InChIKeyHQEAKMAMVPDLBK-CCEZHUSRSA-N
MW222.38 g/mol
LogP3.66
Rot. Bonds9

About N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine

N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine (PubChem CID 123494328) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine
PubChem CID123494328
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine
SMILESC=CCCCCC(=C)N(C)C/C(CC)=N/C
InChIInChI=1S/C14H26N2/c1-6-8-9-10-11-13(3)16(5)12-14(7-2)15-4/h6H,1,3,7-12H2,2,4-5H3/b15-14+
InChIKeyHQEAKMAMVPDLBK-CCEZHUSRSA-N
XLogP3.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57244631
3-ethylimino-N,N-dimethylhex-1-en-2-amine
CID 117852707
(1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine
CID 126734368
(Z)-5-ethenylimino-N-ethyl-N-methyloct-6-en-1-amine
CID 134386167
ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine
CID 142257782
(E)-N,N-dimethyl-1-(propan-2-ylideneamino)hex-1-en-2-amine
CID 155480496
1,3,5-tris(prop-2-enyl)-2H-pyrazine
CID 175714929
N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine
CID 142257783
4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine
CID 143370914

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine?
The IUPAC name of N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine (CID 123494328) is N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine.
What is the SMILES notation for N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine?
The canonical SMILES for N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine is C=CCCCCC(=C)N(C)C/C(CC)=N/C.
What is the InChIKey of N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine?
The InChIKey is HQEAKMAMVPDLBK-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-8-9-10-11-13(3)16(5)12-14(7-2)15-4/h6H,1,3,7-12H2,2,4-5H3/b15-14+.
What are the key properties of N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine?
N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine has a molecular weight of 222.38 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyliminobutyl)octa-1,7-dien-2-amine is sourced from PubChem (CID 123494328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).