1-hept-6-enoxy-4-methylpentan-3-amine

C13H27NO — CID 123872109

IUPAC1-hept-6-enoxy-4-methylpentan-3-amine
SMILESC=CCCCCCOCCC(N)C(C)C
InChIInChI=1S/C13H27NO/c1-4-5-6-7-8-10-15-11-9-13(14)12(2)3/h4,12-13H,1,5-11,14H2,2-3H3
InChIKeyNOFYNOKPVAUYLJ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.12
Rot. Bonds10

About 1-hept-6-enoxy-4-methylpentan-3-amine

1-hept-6-enoxy-4-methylpentan-3-amine (PubChem CID 123872109) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-hept-6-enoxy-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-hept-6-enoxy-4-methylpentan-3-amine
PubChem CID123872109
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-hept-6-enoxy-4-methylpentan-3-amine
SMILESC=CCCCCCOCCC(N)C(C)C
InChIInChI=1S/C13H27NO/c1-4-5-6-7-8-10-15-11-9-13(14)12(2)3/h4,12-13H,1,5-11,14H2,2-3H3
InChIKeyNOFYNOKPVAUYLJ-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.12
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

1-Ethenoxy-3-propylhex-5-en-2-amine
CID 54093233
(3R)-1-hept-6-enoxy-4-methylpentan-3-amine
CID 87242821
6-(Cyclopropylmethoxy)-5-methylhept-1-en-4-amine
CID 89153993
1-Hept-6-en-2-yloxy-3-methylbutan-2-amine
CID 90282343
1-[(2R)-hept-6-en-2-yl]oxy-3-methylbutan-2-amine
CID 90282344
(2R)-1-hept-6-enoxy-3-methylbutan-2-amine
CID 90282345
(2R)-1-hept-6-en-2-yloxy-3-methylbutan-2-amine
CID 90282347
3-(Methoxymethyl)hex-5-en-2-amine
CID 143335167
(2S)-N,1-diethoxy-2-methylhex-5-en-3-amine
CID 163816690
2-(Hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine
CID 166688985
3-[5-(3-Aminopropoxymethyl)hept-6-enoxy]propan-1-amine
CID 168985622
1-Methoxyhept-6-en-3-amine
CID 64297002

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enoxy-4-methylpentan-3-amine?
The IUPAC name of 1-hept-6-enoxy-4-methylpentan-3-amine (CID 123872109) is 1-hept-6-enoxy-4-methylpentan-3-amine.
What is the SMILES notation for 1-hept-6-enoxy-4-methylpentan-3-amine?
The canonical SMILES for 1-hept-6-enoxy-4-methylpentan-3-amine is C=CCCCCCOCCC(N)C(C)C.
What is the InChIKey of 1-hept-6-enoxy-4-methylpentan-3-amine?
The InChIKey is NOFYNOKPVAUYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-6-7-8-10-15-11-9-13(14)12(2)3/h4,12-13H,1,5-11,14H2,2-3H3.
What are the key properties of 1-hept-6-enoxy-4-methylpentan-3-amine?
1-hept-6-enoxy-4-methylpentan-3-amine has a molecular weight of 213.36 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enoxy-4-methylpentan-3-amine is sourced from PubChem (CID 123872109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).