N,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine

C15H27NO — CID 139514336

IUPACN,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine
SMILESC=CC(=C)CCC(OCCCN(C)C)C(=C)C
InChIInChI=1S/C15H27NO/c1-7-14(4)9-10-15(13(2)3)17-12-8-11-16(5)6/h7,15H,1-2,4,8-12H2,3,5-6H3
InChIKeyZEXTUWZHGQWZTA-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.42
Rot. Bonds10

About N,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine

N,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine (PubChem CID 139514336) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine
PubChem CID139514336
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine
SMILESC=CC(=C)CCC(OCCCN(C)C)C(=C)C
InChIInChI=1S/C15H27NO/c1-7-14(4)9-10-15(13(2)3)17-12-8-11-16(5)6/h7,15H,1-2,4,8-12H2,3,5-6H3
InChIKeyZEXTUWZHGQWZTA-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine (CID 139514336) is N,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine is C=CC(=C)CCC(OCCCN(C)C)C(=C)C.
What is the InChIKey of N,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine?
The InChIKey is ZEXTUWZHGQWZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-7-14(4)9-10-15(13(2)3)17-12-8-11-16(5)6/h7,15H,1-2,4,8-12H2,3,5-6H3.
What are the key properties of N,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine?
N,N-dimethyl-3-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-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-(2-methyl-6-methylideneocta-1,7-dien-3-yl)oxypropan-1-amine is sourced from PubChem (CID 139514336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).