3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine

C12H23NO — CID 80684583

IUPAC3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine
SMILESC=C(CC)CC(N)C1(C)CCCCO1
InChIInChI=1S/C12H23NO/c1-4-10(2)9-11(13)12(3)7-5-6-8-14-12/h11H,2,4-9,13H2,1,3H3
InChIKeyBDZFCIXHNPXDRS-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds4

About 3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine

3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine (PubChem CID 80684583) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine
PubChem CID80684583
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine
SMILESC=C(CC)CC(N)C1(C)CCCCO1
InChIInChI=1S/C12H23NO/c1-4-10(2)9-11(13)12(3)7-5-6-8-14-12/h11H,2,4-9,13H2,1,3H3
InChIKeyBDZFCIXHNPXDRS-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine?
The IUPAC name of 3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine (CID 80684583) is 3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine.
What is the SMILES notation for 3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine?
The canonical SMILES for 3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine is C=C(CC)CC(N)C1(C)CCCCO1.
What is the InChIKey of 3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine?
The InChIKey is BDZFCIXHNPXDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(2)9-11(13)12(3)7-5-6-8-14-12/h11H,2,4-9,13H2,1,3H3.
What are the key properties of 3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine?
3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(2-methyloxan-2-yl)pentan-1-amine is sourced from PubChem (CID 80684583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).