N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine

C12H23NO2 — CID 104705800

IUPACN-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1(OC)CCOC1
InChIInChI=1S/C12H23NO2/c1-4-5-6-11(2)13-9-12(14-3)7-8-15-10-12/h4,11,13H,1,5-10H2,2-3H3
InChIKeyTXPZNQBIRCSIPI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds7

About N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine

N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine (PubChem CID 104705800) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine
PubChem CID104705800
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1(OC)CCOC1
InChIInChI=1S/C12H23NO2/c1-4-5-6-11(2)13-9-12(14-3)7-8-15-10-12/h4,11,13H,1,5-10H2,2-3H3
InChIKeyTXPZNQBIRCSIPI-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine
CID 90727869
(2S,3S,4S)-2-ethenyl-3,4-bis[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 11299479
(3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine
CID 102175146
N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 103904981
N-[2-(oxolan-3-ylmethoxy)ethyl]hex-5-en-2-amine
CID 104582371
N-[1-(oxolan-3-yloxy)propan-2-yl]hex-5-en-2-amine
CID 104582951
N-[3-(oxolan-3-yloxy)propyl]hex-5-en-2-amine
CID 104582958
N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine
CID 104583482
N-hex-5-en-2-yloxolan-3-amine
CID 104583522
3-[(Hex-5-en-2-ylamino)methyl]oxolan-3-ol
CID 104583578
4-(Hex-5-en-2-ylamino)oxolan-3-ol
CID 104584009
N-[(3-methoxyoxolan-3-yl)methyl]pentan-2-amine
CID 104705733

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine (CID 104705800) is N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine is C=CCCC(C)NCC1(OC)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine?
The InChIKey is TXPZNQBIRCSIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-5-6-11(2)13-9-12(14-3)7-8-15-10-12/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine?
N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 104705800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).