1-(2-methyloxolan-3-yl)hex-5-en-1-amine

C11H21NO — CID 104987109

IUPAC1-(2-methyloxolan-3-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CCOC1C
InChIInChI=1S/C11H21NO/c1-3-4-5-6-11(12)10-7-8-13-9(10)2/h3,9-11H,1,4-8,12H2,2H3
InChIKeyKZFLNWJAKHJEPC-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.10
Rot. Bonds5

About 1-(2-methyloxolan-3-yl)hex-5-en-1-amine

1-(2-methyloxolan-3-yl)hex-5-en-1-amine (PubChem CID 104987109) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)hex-5-en-1-amine
PubChem CID104987109
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(2-methyloxolan-3-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CCOC1C
InChIInChI=1S/C11H21NO/c1-3-4-5-6-11(12)10-7-8-13-9(10)2/h3,9-11H,1,4-8,12H2,2H3
InChIKeyKZFLNWJAKHJEPC-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.10
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
(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine
CID 176612815
(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine
CID 176613045
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
2,2-dimethyl-3a,6,7,7a-tetrahydro-3H-1-benzofuran-6-amine
CID 141837457
2-(5-Prop-2-enyloxolan-3-yl)ethanamine
CID 155187749
1-[(2R)-oxolan-2-yl]hex-5-en-3-amine
CID 167351391
1-[(2S)-oxolan-2-yl]hex-5-en-3-amine
CID 167351449
(3S,5R)-6-ethyl-2-prop-2-enyl-5-propyloxan-3-amine
CID 170204912
(2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
CID 176613077
1-(Oxolan-2-yl)pent-4-en-2-amine
CID 61380136

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)hex-5-en-1-amine?
The IUPAC name of 1-(2-methyloxolan-3-yl)hex-5-en-1-amine (CID 104987109) is 1-(2-methyloxolan-3-yl)hex-5-en-1-amine.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)hex-5-en-1-amine?
The canonical SMILES for 1-(2-methyloxolan-3-yl)hex-5-en-1-amine is C=CCCCC(N)C1CCOC1C.
What is the InChIKey of 1-(2-methyloxolan-3-yl)hex-5-en-1-amine?
The InChIKey is KZFLNWJAKHJEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-6-11(12)10-7-8-13-9(10)2/h3,9-11H,1,4-8,12H2,2H3.
What are the key properties of 1-(2-methyloxolan-3-yl)hex-5-en-1-amine?
1-(2-methyloxolan-3-yl)hex-5-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)hex-5-en-1-amine is sourced from PubChem (CID 104987109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).