4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine

C11H22ClNO — CID 106299641

IUPAC4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine
SMILESCC(C)CCNC1(CCl)CCOCC1
InChIInChI=1S/C11H22ClNO/c1-10(2)3-6-13-11(9-12)4-7-14-8-5-11/h10,13H,3-9H2,1-2H3
InChIKeyOEXJNFOZEALHGN-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.41
Rot. Bonds5

About 4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine

4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine (PubChem CID 106299641) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine
PubChem CID106299641
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine
SMILESCC(C)CCNC1(CCl)CCOCC1
InChIInChI=1S/C11H22ClNO/c1-10(2)3-6-13-11(9-12)4-7-14-8-5-11/h10,13H,3-9H2,1-2H3
InChIKeyOEXJNFOZEALHGN-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine (CID 106299641) is 4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine is CC(C)CCNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine?
The InChIKey is OEXJNFOZEALHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-10(2)3-6-13-11(9-12)4-7-14-8-5-11/h10,13H,3-9H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine?
4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine has a molecular weight of 219.76 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(3-methylbutyl)oxan-4-amine is sourced from PubChem (CID 106299641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).