3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine

C11H20ClNO — CID 106438299

IUPAC3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine
SMILESCC(=CCl)CNCCC1CCCCO1
InChIInChI=1S/C11H20ClNO/c1-10(8-12)9-13-6-5-11-4-2-3-7-14-11/h8,11,13H,2-7,9H2,1H3
InChIKeyPBIOILWWHJYRBR-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.68
Rot. Bonds5

About 3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine

3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine (PubChem CID 106438299) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine
PubChem CID106438299
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine
SMILESCC(=CCl)CNCCC1CCCCO1
InChIInChI=1S/C11H20ClNO/c1-10(8-12)9-13-6-5-11-4-2-3-7-14-11/h8,11,13H,2-7,9H2,1H3
InChIKeyPBIOILWWHJYRBR-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroprop-2-enyl)-2-propyloxan-4-amine
CID 103991296
N-[(E)-3-chloroprop-2-enyl]-2-methyloxan-4-amine
CID 105752372
2-methylidene-N-[2-(oxan-2-yl)ethyl]butan-1-amine
CID 105998132
(E)-3-chloro-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine
CID 105998216
(E)-2,3-dichloro-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine
CID 105998249
3-methyl-N-[2-(oxan-2-yl)ethyl]but-3-en-1-amine
CID 105998330
2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine
CID 105998418
(E)-4-chloro-N-[2-(oxan-2-yl)ethyl]but-2-en-1-amine
CID 105998429
2-chloro-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine
CID 105998442
2-ethyl-N-(3-methylbut-2-enyl)oxan-4-amine
CID 106181387
3-chloro-2-methyl-N-[2-(oxolan-2-yl)ethyl]prop-2-en-1-amine
CID 106437548
3-chloro-2-methyl-N-(oxan-2-ylmethyl)prop-2-en-1-amine
CID 106437631

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of 3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine (CID 106438299) is 3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine is CC(=CCl)CNCCC1CCCCO1.
What is the InChIKey of 3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine?
The InChIKey is PBIOILWWHJYRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-10(8-12)9-13-6-5-11-4-2-3-7-14-11/h8,11,13H,2-7,9H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine?
3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine has a molecular weight of 217.74 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[2-(oxan-2-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 106438299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).