4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine

C10H19NO — CID 79179974

IUPAC4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine
SMILESC=C(C)CC(N)CC1CCCO1
InChIInChI=1S/C10H19NO/c1-8(2)6-9(11)7-10-4-3-5-12-10/h9-10H,1,3-7,11H2,2H3
InChIKeyHQJVOUJUDRRICS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds4

About 4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine

4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine (PubChem CID 79179974) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine
PubChem CID79179974
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine
SMILESC=C(C)CC(N)CC1CCCO1
InChIInChI=1S/C10H19NO/c1-8(2)6-9(11)7-10-4-3-5-12-10/h9-10H,1,3-7,11H2,2H3
InChIKeyHQJVOUJUDRRICS-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Oxolan-2-yl)but-3-en-2-amine
CID 65575949
2-[5-[2-(4-Methylcyclohexa-1,3-dien-1-yl)ethyl]oxolan-2-yl]ethanamine
CID 70326074
1-[(2R)-oxolan-2-yl]hex-5-en-3-amine
CID 167351391
1-[(2S)-oxolan-2-yl]hex-5-en-3-amine
CID 167351449
2-(5-Methylideneoxepan-2-yl)ethanamine
CID 175613160
9-Methoxy-3,4,5-trimethylidenenonane-1,7-diamine
CID 176088919
1-(Oxolan-2-yl)pent-4-en-2-amine
CID 61380136
N-methyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 61380669
N-ethyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 61380670
1-(oxolan-2-yl)-N-propylpent-4-en-2-amine
CID 61380681
N-methyl-1-(oxolan-2-yl)hept-6-en-2-amine
CID 64297423
N-methyl-1-(oxolan-2-yl)hex-5-en-2-amine
CID 64297424

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine?
The IUPAC name of 4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine (CID 79179974) is 4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine.
What is the SMILES notation for 4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine?
The canonical SMILES for 4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine is C=C(C)CC(N)CC1CCCO1.
What is the InChIKey of 4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine?
The InChIKey is HQJVOUJUDRRICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)6-9(11)7-10-4-3-5-12-10/h9-10H,1,3-7,11H2,2H3.
What are the key properties of 4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine?
4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine is sourced from PubChem (CID 79179974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).