4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine

C11H20ClNO — CID 106299733

IUPAC4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine
SMILESCC(C)=CCNC1(CCl)CCOCC1
InChIInChI=1S/C11H20ClNO/c1-10(2)3-6-13-11(9-12)4-7-14-8-5-11/h3,13H,4-9H2,1-2H3
InChIKeyUXKDBOZRQXPWCN-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.33
Rot. Bonds4

About 4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine

4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine (PubChem CID 106299733) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine
PubChem CID106299733
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine
SMILESCC(C)=CCNC1(CCl)CCOCC1
InChIInChI=1S/C11H20ClNO/c1-10(2)3-6-13-11(9-12)4-7-14-8-5-11/h3,13H,4-9H2,1-2H3
InChIKeyUXKDBOZRQXPWCN-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine
CID 104866606
4-(chloromethyl)-N-(2-methylpropyl)oxan-4-amine
CID 106299645
N-[(E)-but-2-enyl]-4-(chloromethyl)oxan-4-amine
CID 106299655
N-butan-2-yl-4-(chloromethyl)oxan-4-amine
CID 106299659
4-(chloromethyl)-N-(3-ethoxypropyl)oxan-4-amine
CID 106299681
4-(chloromethyl)-N-prop-2-enyloxan-4-amine
CID 106299706
4-(chloromethyl)-N-propan-2-yloxan-4-amine
CID 106299709
4-(chloromethyl)-N-propyloxan-4-amine
CID 106299711
N-butyl-4-(chloromethyl)oxan-4-amine
CID 106299722
4-(chloromethyl)-N-(3-methoxypropyl)oxan-4-amine
CID 106299769
4-(chloromethyl)-N-ethyloxan-4-amine
CID 106299783
4-(chloromethyl)-N-pentan-3-yloxan-4-amine
CID 106299791

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine (CID 106299733) is 4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine is CC(C)=CCNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine?
The InChIKey is UXKDBOZRQXPWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-10(2)3-6-13-11(9-12)4-7-14-8-5-11/h3,13H,4-9H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine?
4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine has a molecular weight of 217.74 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(3-methylbut-2-enyl)oxan-4-amine is sourced from PubChem (CID 106299733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).