4-(5-methylideneoxepan-4-yl)butan-2-amine

C11H21NO — CID 155364933

IUPAC4-(5-methylideneoxepan-4-yl)butan-2-amine
SMILESC=C1CCOCCC1CCC(C)N
InChIInChI=1S/C11H21NO/c1-9-5-7-13-8-6-11(9)4-3-10(2)12/h10-11H,1,3-8,12H2,2H3
InChIKeyGAQANVMKYROJPD-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.10
Rot. Bonds3

About 4-(5-methylideneoxepan-4-yl)butan-2-amine

4-(5-methylideneoxepan-4-yl)butan-2-amine (PubChem CID 155364933) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(5-methylideneoxepan-4-yl)butan-2-amine.

Molecular Properties

Compound Name4-(5-methylideneoxepan-4-yl)butan-2-amine
PubChem CID155364933
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(5-methylideneoxepan-4-yl)butan-2-amine
SMILESC=C1CCOCCC1CCC(C)N
InChIInChI=1S/C11H21NO/c1-9-5-7-13-8-6-11(9)4-3-10(2)12/h10-11H,1,3-8,12H2,2H3
InChIKeyGAQANVMKYROJPD-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

N-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine
CID 174308323
3-Methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037812
3-Methylidene-1-(oxan-4-yl)pentan-1-amine
CID 66038049
3-Methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038289
3-Methyl-1-(oxan-3-yl)but-3-en-1-amine
CID 79184856
3-Methyl-1-(oxan-4-yl)but-3-en-1-amine
CID 79186536
4-Methylidene-1-(oxolan-3-yl)hexan-2-amine
CID 103986630
4-Methyl-1-(oxolan-3-yl)pent-4-en-2-amine
CID 103986846
3-Methyl-1-(5-methyloxolan-3-yl)but-3-en-1-amine
CID 105004381
1-Methoxy-2-methyl-6-methylideneoctan-4-amine
CID 105163883
1-Ethoxy-6-methylideneoctan-4-amine
CID 105164064
1-Methoxy-2,7-dimethyloct-7-en-4-amine
CID 105182477

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylideneoxepan-4-yl)butan-2-amine?
The IUPAC name of 4-(5-methylideneoxepan-4-yl)butan-2-amine (CID 155364933) is 4-(5-methylideneoxepan-4-yl)butan-2-amine.
What is the SMILES notation for 4-(5-methylideneoxepan-4-yl)butan-2-amine?
The canonical SMILES for 4-(5-methylideneoxepan-4-yl)butan-2-amine is C=C1CCOCCC1CCC(C)N.
What is the InChIKey of 4-(5-methylideneoxepan-4-yl)butan-2-amine?
The InChIKey is GAQANVMKYROJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-5-7-13-8-6-11(9)4-3-10(2)12/h10-11H,1,3-8,12H2,2H3.
What are the key properties of 4-(5-methylideneoxepan-4-yl)butan-2-amine?
4-(5-methylideneoxepan-4-yl)butan-2-amine has a molecular weight of 183.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylideneoxepan-4-yl)butan-2-amine is sourced from PubChem (CID 155364933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).