6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine

C14H25NO — CID 142407880

IUPAC6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine
SMILESC=C(C)/C=C\C(=C)COCCCCCCN
InChIInChI=1S/C14H25NO/c1-13(2)8-9-14(3)12-16-11-7-5-4-6-10-15/h8-9H,1,3-7,10-12,15H2,2H3/b9-8-
InChIKeyQSZIZDRJJPDIRE-HJWRWDBZSA-N
MW223.36 g/mol
LogP3.21
Rot. Bonds10

About 6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine

6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine (PubChem CID 142407880) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine.

Molecular Properties

Compound Name6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine
PubChem CID142407880
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine
SMILESC=C(C)/C=C\C(=C)COCCCCCCN
InChIInChI=1S/C14H25NO/c1-13(2)8-9-14(3)12-16-11-7-5-4-6-10-15/h8-9H,1,3-7,10-12,15H2,2H3/b9-8-
InChIKeyQSZIZDRJJPDIRE-HJWRWDBZSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
CID 129015898
2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine
CID 138526704
6-(4-Cyclohexa-1,5-dien-1-ylbutoxy)hexan-1-amine
CID 144342917
6-(Cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine
CID 145311471
6-[(Z,5Z)-5-ethylideneoct-6-enoxy]hexan-1-amine
CID 145375824
6-[2-(3-Chloro-2-methylidenepent-3-enoxy)ethoxy]hexylazanium
CID 164009684
[(4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
CID 173681824
3-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine
CID 84049776
(Z)-4-(methoxymethyl)-6-methylideneoct-4-en-1-amine
CID 103392077
4-(Methoxymethyl)-6-methylhepta-4,6-dien-1-amine
CID 103392102
(4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine
CID 103392230
(4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine
CID 107010640

Frequently Asked Questions

What is the IUPAC name of 6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine?
The IUPAC name of 6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine (CID 142407880) is 6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine.
What is the SMILES notation for 6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine?
The canonical SMILES for 6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine is C=C(C)/C=C\C(=C)COCCCCCCN.
What is the InChIKey of 6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine?
The InChIKey is QSZIZDRJJPDIRE-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2)8-9-14(3)12-16-11-7-5-4-6-10-15/h8-9H,1,3-7,10-12,15H2,2H3/b9-8-.
What are the key properties of 6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine?
6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine is sourced from PubChem (CID 142407880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).