N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine

C10H18ClNO — CID 103067663

IUPACN-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine
SMILESC=C(CCl)CN(C)C1CCOCC1
InChIInChI=1S/C10H18ClNO/c1-9(7-11)8-12(2)10-3-5-13-6-4-10/h10H,1,3-8H2,2H3
InChIKeyFQEUPOVDCKBFMF-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.89
Rot. Bonds4

About N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine

N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine (PubChem CID 103067663) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine
PubChem CID103067663
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC NameN-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine
SMILESC=C(CCl)CN(C)C1CCOCC1
InChIInChI=1S/C10H18ClNO/c1-9(7-11)8-12(2)10-3-5-13-6-4-10/h10H,1,3-8H2,2H3
InChIKeyFQEUPOVDCKBFMF-UHFFFAOYSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.89
H-Bond Donors ≤ 50
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-methylprop-2-enyl)-N-propan-2-yloxan-4-amine
CID 21034321
N-(3-chloropropyl)-N-methyloxan-4-amine
CID 61288160
N-(3-chloro-2-methylpropyl)-N-methyloxan-4-amine
CID 64232976
N-(4-chlorobut-2-enyl)-N-methyloxan-4-amine
CID 77051179
4-[2-(Chloromethyl)prop-2-enyl]-3-ethylmorpholine
CID 103067664
2-(chloromethyl)-N-methyl-N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 103067867
N-(3-chloro-2-methylprop-2-enyl)oxan-4-amine
CID 106437491
N-(2-chloroprop-2-enyl)-N-methyloxan-4-amine
CID 131107096
N-[(E)-3-chloroprop-2-enyl]-N-methyloxan-4-amine
CID 131233828

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine?
The IUPAC name of N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine (CID 103067663) is N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine is C=C(CCl)CN(C)C1CCOCC1.
What is the InChIKey of N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine?
The InChIKey is FQEUPOVDCKBFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(7-11)8-12(2)10-3-5-13-6-4-10/h10H,1,3-8H2,2H3.
What are the key properties of N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine?
N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine has a molecular weight of 203.71 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)prop-2-enyl]-N-methyloxan-4-amine is sourced from PubChem (CID 103067663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).