3-chloro-N-methoxy-2-methylprop-2-en-1-amine

C5H10ClNO — CID 106437820

IUPAC3-chloro-N-methoxy-2-methylprop-2-en-1-amine
SMILESCONCC(C)=CCl
InChIInChI=1S/C5H10ClNO/c1-5(3-6)4-7-8-2/h3,7H,4H2,1-2H3
InChIKeyUUDSXZJXLFXTAN-UHFFFAOYSA-N
MW135.59 g/mol
LogP1.28
Rot. Bonds3

About 3-chloro-N-methoxy-2-methylprop-2-en-1-amine

3-chloro-N-methoxy-2-methylprop-2-en-1-amine (PubChem CID 106437820) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is 3-chloro-N-methoxy-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-N-methoxy-2-methylprop-2-en-1-amine
PubChem CID106437820
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name3-chloro-N-methoxy-2-methylprop-2-en-1-amine
SMILESCONCC(C)=CCl
InChIInChI=1S/C5H10ClNO/c1-5(3-6)4-7-8-2/h3,7H,4H2,1-2H3
InChIKeyUUDSXZJXLFXTAN-UHFFFAOYSA-N
XLogP1.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-methyl-N-(2-methylpropoxy)prop-2-en-1-amine
CID 106437994
3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine
CID 106437274
(E)-1-chloro-3-methoxy-2-methylprop-1-ene
CID 6382159
1,2-dichloro-1-methoxyethene
CID 76710565
2-[(3-chloro-2-methylprop-2-enyl)amino]propan-1-ol
CID 106437749
3-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine
CID 106438286
N-(3-chloro-2-methylprop-2-enyl)-1-methoxypentan-2-amine
CID 106437796
methyl 2-bromo-3-[(3-chloro-2-methylprop-2-enyl)amino]propanoate
CID 106440102
3-chloro-N-(3-chloropropyl)-2-methylprop-2-en-1-amine
CID 106439962
N-(1-bromopropan-2-yl)-3-chloro-2-methylprop-2-en-1-amine
CID 106440126
methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate
CID 106437639
N-(3-chloro-2-methylprop-2-enyl)-3-methoxycyclopentan-1-amine
CID 106438266

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methoxy-2-methylprop-2-en-1-amine?
The IUPAC name of 3-chloro-N-methoxy-2-methylprop-2-en-1-amine (CID 106437820) is 3-chloro-N-methoxy-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-chloro-N-methoxy-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-chloro-N-methoxy-2-methylprop-2-en-1-amine is CONCC(C)=CCl.
What is the InChIKey of 3-chloro-N-methoxy-2-methylprop-2-en-1-amine?
The InChIKey is UUDSXZJXLFXTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO/c1-5(3-6)4-7-8-2/h3,7H,4H2,1-2H3.
What are the key properties of 3-chloro-N-methoxy-2-methylprop-2-en-1-amine?
3-chloro-N-methoxy-2-methylprop-2-en-1-amine has a molecular weight of 135.59 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methoxy-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106437820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).