2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine

C10H19NO — CID 115890220

IUPAC2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine
SMILESC/C=C/CCNC1CCOC1C
InChIInChI=1S/C10H19NO/c1-3-4-5-7-11-10-6-8-12-9(10)2/h3-4,9-11H,5-8H2,1-2H3/b4-3+
InChIKeyNBBRJZPPNPISJI-ONEGZZNKSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds4

About 2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine

2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine (PubChem CID 115890220) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine
PubChem CID115890220
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine
SMILESC/C=C/CCNC1CCOC1C
InChIInChI=1S/C10H19NO/c1-3-4-5-7-11-10-6-8-12-9(10)2/h3-4,9-11H,5-8H2,1-2H3/b4-3+
InChIKeyNBBRJZPPNPISJI-ONEGZZNKSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
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

2-methyl-N-[(E)-pent-3-enyl]oxan-4-amine
CID 115898630
2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol
CID 99633545
2-methyl-N-propyloxolan-3-amine;hydrochloride
CID 146154013
N-[(E)-4-chlorobut-2-enyl]-2-methyloxolan-3-amine
CID 82725775
(2S,3R)-2-methyl-N-pentyloxolan-3-amine
CID 97358110
N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82722831
N-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
CID 115336509
N-methyl-3-[(2-methyloxolan-3-yl)amino]propanamide
CID 115336497
(2R)-4-[[(2S,3S)-2-methyloxolan-3-yl]amino]butan-2-ol
CID 97358229
4-[(2-methyloxolan-3-yl)amino]butan-2-ol
CID 75525204
(2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine
CID 97358081
(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 97358057

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine (CID 115890220) is 2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine is C/C=C/CCNC1CCOC1C.
What is the InChIKey of 2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine?
The InChIKey is NBBRJZPPNPISJI-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-7-11-10-6-8-12-9(10)2/h3-4,9-11H,5-8H2,1-2H3/b4-3+.
What are the key properties of 2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine?
2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine is sourced from PubChem (CID 115890220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).