1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine

C10H19ClN2O — CID 167136807

IUPAC1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine
SMILESC=CN(C1CCCCO1)N(C)C(C)Cl
InChIInChI=1S/C10H19ClN2O/c1-4-13(12(3)9(2)11)10-7-5-6-8-14-10/h4,9-10H,1,5-8H2,2-3H3
InChIKeyASPIPIQFGCQWCI-UHFFFAOYSA-N
MW218.73 g/mol
LogP2.39
Rot. Bonds4

About 1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine

1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine (PubChem CID 167136807) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is 1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine.

Molecular Properties

Compound Name1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine
PubChem CID167136807
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine
SMILESC=CN(C1CCCCO1)N(C)C(C)Cl
InChIInChI=1S/C10H19ClN2O/c1-4-13(12(3)9(2)11)10-7-5-6-8-14-10/h4,9-10H,1,5-8H2,2-3H3
InChIKeyASPIPIQFGCQWCI-UHFFFAOYSA-N
XLogP2.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N,N-dimethyloxan-2-amine
CID 92983084
N-methyl-N-propyloxan-2-amine
CID 91002672
(E)-N-methyl-N'-(methylideneamino)-N'-(oxan-2-yl)ethene-1,2-diamine
CID 167130251
4-N-ethenyl-6-iodo-2-methyl-4-N-(oxan-2-yl)pyrimidine-4,5-diamine
CID 89307336
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-(oxan-2-yl)propane-1,3-diamine
CID 174963447
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
CID 88679523
CID 88679523
N,N-dimethyl-3-propan-2-yloxepan-2-amine
CID 137487098
(2R)-2-(2-methylpropyl)oxane
CID 58653197
N-ethyl-N-propyloxan-2-amine
CID 90739816
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
N-butyl-N-propyloxan-2-amine
CID 91513495

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine?
The IUPAC name of 1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine (CID 167136807) is 1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine.
What is the SMILES notation for 1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine?
The canonical SMILES for 1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine is C=CN(C1CCCCO1)N(C)C(C)Cl.
What is the InChIKey of 1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine?
The InChIKey is ASPIPIQFGCQWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O/c1-4-13(12(3)9(2)11)10-7-5-6-8-14-10/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine?
1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine has a molecular weight of 218.73 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethyl)-2-ethenyl-1-methyl-2-(oxan-2-yl)hydrazine is sourced from PubChem (CID 167136807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).