N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine

C15H27NO — CID 139501884

IUPACN,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine
SMILESC=CC(=C)CC/C=C(\C)COCCCN(C)C
InChIInChI=1S/C15H27NO/c1-6-14(2)9-7-10-15(3)13-17-12-8-11-16(4)5/h6,10H,1-2,7-9,11-13H2,3-5H3/b15-10+
InChIKeyYFMLXYAHZJHFAF-XNTDXEJSSA-N
MW237.39 g/mol
LogP3.42
Rot. Bonds10

About N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine

N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine (PubChem CID 139501884) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine
PubChem CID139501884
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine
SMILESC=CC(=C)CC/C=C(\C)COCCCN(C)C
InChIInChI=1S/C15H27NO/c1-6-14(2)9-7-10-15(3)13-17-12-8-11-16(4)5/h6,10H,1-2,7-9,11-13H2,3-5H3/b15-10+
InChIKeyYFMLXYAHZJHFAF-XNTDXEJSSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine (CID 139501884) is N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine is C=CC(=C)CC/C=C(\C)COCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine?
The InChIKey is YFMLXYAHZJHFAF-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H27NO/c1-6-14(2)9-7-10-15(3)13-17-12-8-11-16(4)5/h6,10H,1-2,7-9,11-13H2,3-5H3/b15-10+.
What are the key properties of N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine?
N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.42, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2E)-2-methyl-6-methylideneocta-2,7-dienoxy]propan-1-amine is sourced from PubChem (CID 139501884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).