3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine

C13H25NO — CID 154376410

IUPAC3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine
SMILESCC(C)=CCCC(C)=CCOCCCN
InChIInChI=1S/C13H25NO/c1-12(2)6-4-7-13(3)8-11-15-10-5-9-14/h6,8H,4-5,7,9-11,14H2,1-3H3
InChIKeyFSUKTJUTYZZRPE-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.04
Rot. Bonds8

About 3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine

3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine (PubChem CID 154376410) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine.

Molecular Properties

Compound Name3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine
PubChem CID154376410
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine
SMILESCC(C)=CCCC(C)=CCOCCCN
InChIInChI=1S/C13H25NO/c1-12(2)6-4-7-13(3)8-11-15-10-5-9-14/h6,8H,4-5,7,9-11,14H2,1-3H3
InChIKeyFSUKTJUTYZZRPE-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Methylbut-2-enoxy)propan-1-amine
CID 58684996
2-(4-Methylpent-3-en-2-yloxy)ethanamine
CID 87594390
(Z)-5-methoxy-4-methylpent-3-en-1-amine
CID 129196456
1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-N-methylpropan-1-amine
CID 135270801
2-[(4-Methylcyclohexa-1,4-dien-1-yl)methoxy]ethanamine
CID 141347753
3-Ethoxypropan-1-amine;1-methylcyclohexene
CID 141809845
3-[(2Z,4Z)-hepta-2,4-dienoxy]propan-1-amine
CID 142914137
3-(Cyclohexa-1,5-dien-1-ylmethoxy)propan-1-amine
CID 143847881
(E)-5-methoxy-3-methylhex-3-en-1-amine
CID 155228109
3-[(2Z,4Z)-4-methylhepta-2,4-dienoxy]propan-1-amine
CID 156377393
(E)-3-ethoxy-3-methylhex-4-en-1-amine
CID 163902015
(3Z,5E,6E,8E)-8-ethenyl-5-(2-propoxyethylidene)deca-3,6,8-trien-1-amine
CID 167046317

Frequently Asked Questions

What is the IUPAC name of 3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine?
The IUPAC name of 3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine (CID 154376410) is 3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine.
What is the SMILES notation for 3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine?
The canonical SMILES for 3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine is CC(C)=CCCC(C)=CCOCCCN.
What is the InChIKey of 3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine?
The InChIKey is FSUKTJUTYZZRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2)6-4-7-13(3)8-11-15-10-5-9-14/h6,8H,4-5,7,9-11,14H2,1-3H3.
What are the key properties of 3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine?
3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,7-dimethylocta-2,6-dienoxy)propan-1-amine is sourced from PubChem (CID 154376410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).