4-methylidene-1-(oxolan-3-yl)hexan-2-amine

C11H21NO — CID 103986630

IUPAC4-methylidene-1-(oxolan-3-yl)hexan-2-amine
SMILESC=C(CC)CC(N)CC1CCOC1
InChIInChI=1S/C11H21NO/c1-3-9(2)6-11(12)7-10-4-5-13-8-10/h10-11H,2-8,12H2,1H3
InChIKeyJPNGYLBAOWGCQL-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.10
Rot. Bonds5

About 4-methylidene-1-(oxolan-3-yl)hexan-2-amine

4-methylidene-1-(oxolan-3-yl)hexan-2-amine (PubChem CID 103986630) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-methylidene-1-(oxolan-3-yl)hexan-2-amine.

Molecular Properties

Compound Name4-methylidene-1-(oxolan-3-yl)hexan-2-amine
PubChem CID103986630
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-methylidene-1-(oxolan-3-yl)hexan-2-amine
SMILESC=C(CC)CC(N)CC1CCOC1
InChIInChI=1S/C11H21NO/c1-3-9(2)6-11(12)7-10-4-5-13-8-10/h10-11H,2-8,12H2,1H3
InChIKeyJPNGYLBAOWGCQL-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(5-Methylideneoxepan-4-yl)butan-2-amine
CID 155364933
4-Methyl-1-(oxolan-3-yl)pentan-2-amine
CID 62753016
1-(Oxolan-3-yl)hex-5-en-1-amine
CID 65330238
3-Methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037812
N-methyl-3-methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037813
N-ethyl-3-methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037814
3-methylidene-1-(oxolan-3-yl)-N-propylpentan-1-amine
CID 66038048
3-Methylidene-1-(oxan-4-yl)pentan-1-amine
CID 66038049
3-Methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038289
2-Methyl-1-(oxan-3-yl)prop-2-en-1-amine
CID 79178834
3-Methyl-1-(oxan-3-yl)but-3-en-1-amine
CID 79184856
3-Methyl-1-(oxolan-3-yl)but-3-en-1-amine
CID 79186289

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-(oxolan-3-yl)hexan-2-amine?
The IUPAC name of 4-methylidene-1-(oxolan-3-yl)hexan-2-amine (CID 103986630) is 4-methylidene-1-(oxolan-3-yl)hexan-2-amine.
What is the SMILES notation for 4-methylidene-1-(oxolan-3-yl)hexan-2-amine?
The canonical SMILES for 4-methylidene-1-(oxolan-3-yl)hexan-2-amine is C=C(CC)CC(N)CC1CCOC1.
What is the InChIKey of 4-methylidene-1-(oxolan-3-yl)hexan-2-amine?
The InChIKey is JPNGYLBAOWGCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-9(2)6-11(12)7-10-4-5-13-8-10/h10-11H,2-8,12H2,1H3.
What are the key properties of 4-methylidene-1-(oxolan-3-yl)hexan-2-amine?
4-methylidene-1-(oxolan-3-yl)hexan-2-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 4-methylidene-1-(oxolan-3-yl)hexan-2-amine is sourced from PubChem (CID 103986630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).