1-(2-methyloxan-2-yl)oct-7-en-1-amine

C14H27NO — CID 107009529

IUPAC1-(2-methyloxan-2-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)C1(C)CCCCO1
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-10-13(15)14(2)11-8-9-12-16-14/h3,13H,1,4-12,15H2,2H3
InChIKeyWZGYONWYGONGPE-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.41
Rot. Bonds7

About 1-(2-methyloxan-2-yl)oct-7-en-1-amine

1-(2-methyloxan-2-yl)oct-7-en-1-amine (PubChem CID 107009529) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(2-methyloxan-2-yl)oct-7-en-1-amine.

Molecular Properties

Compound Name1-(2-methyloxan-2-yl)oct-7-en-1-amine
PubChem CID107009529
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(2-methyloxan-2-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)C1(C)CCCCO1
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-10-13(15)14(2)11-8-9-12-16-14/h3,13H,1,4-12,15H2,2H3
InChIKeyWZGYONWYGONGPE-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.41
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

(2R,3R,5S,6S)-6-allyl-2,5-dimethyltetrahydro-2H-pyran-3-amine
CID 11521154
2,5-Dimethyl-6-prop-2-enyloxan-3-amine
CID 72993388
(2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine
CID 130848345
6-Ethenyl-6-propyloxan-3-amine
CID 144500196
(3S,5R)-6-ethyl-2-prop-2-enyl-5-propyloxan-3-amine
CID 170204912
1-(Oxan-4-yl)hex-5-en-1-amine
CID 65334907
2-Methoxy-2-methyloct-7-en-3-amine
CID 79197658
2-Cyclohex-3-en-1-yloxan-3-amine
CID 79365411
1-(2-Methyloxolan-2-yl)hex-5-en-1-amine
CID 80174580
1-(2-Methyloxolan-2-yl)but-3-en-1-amine
CID 80174673
1-(2-Methyloxolan-2-yl)pent-4-en-1-amine
CID 80174677
1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine
CID 80683306

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-2-yl)oct-7-en-1-amine?
The IUPAC name of 1-(2-methyloxan-2-yl)oct-7-en-1-amine (CID 107009529) is 1-(2-methyloxan-2-yl)oct-7-en-1-amine.
What is the SMILES notation for 1-(2-methyloxan-2-yl)oct-7-en-1-amine?
The canonical SMILES for 1-(2-methyloxan-2-yl)oct-7-en-1-amine is C=CCCCCCC(N)C1(C)CCCCO1.
What is the InChIKey of 1-(2-methyloxan-2-yl)oct-7-en-1-amine?
The InChIKey is WZGYONWYGONGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-6-7-10-13(15)14(2)11-8-9-12-16-14/h3,13H,1,4-12,15H2,2H3.
What are the key properties of 1-(2-methyloxan-2-yl)oct-7-en-1-amine?
1-(2-methyloxan-2-yl)oct-7-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxan-2-yl)oct-7-en-1-amine is sourced from PubChem (CID 107009529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).