1-chloro-2-methylprop-2-ene-1,1-diamine

C4H9ClN2 — CID 123338882

IUPAC1-chloro-2-methylprop-2-ene-1,1-diamine
SMILESC=C(C)C(N)(N)Cl
InChIInChI=1S/C4H9ClN2/c1-3(2)4(5,6)7/h1,6-7H2,2H3
InChIKeySSDGJRIQQFCNPF-UHFFFAOYSA-N
MW120.58 g/mol
LogP0.37
Rot. Bonds1

About 1-chloro-2-methylprop-2-ene-1,1-diamine

1-chloro-2-methylprop-2-ene-1,1-diamine (PubChem CID 123338882) has the molecular formula C4H9ClN2 and a molecular weight of 120.58 g/mol. Its IUPAC name is 1-chloro-2-methylprop-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-chloro-2-methylprop-2-ene-1,1-diamine
PubChem CID123338882
Molecular FormulaC4H9ClN2
Molecular Weight120.58 g/mol
Exact Mass120.05
IUPAC Name1-chloro-2-methylprop-2-ene-1,1-diamine
SMILESC=C(C)C(N)(N)Cl
InChIInChI=1S/C4H9ClN2/c1-3(2)4(5,6)7/h1,6-7H2,2H3
InChIKeySSDGJRIQQFCNPF-UHFFFAOYSA-N
XLogP0.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride
CID 174877306
4,4,4-trichloro-2,3,3-trimethylbut-1-ene
CID 12632777
1,1-dimethoxy-2-methylprop-2-en-1-amine
CID 151876264
2-methylprop-2-ene-1,1,1-triol
CID 14026294
3,4-dichloro-2,3-dimethylbut-1-ene
CID 15093600
(2S)-2-amino-2-chloropropanenitrile;hydrochloride
CID 88739568
1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride
CID 157459309
3,4-dichloro-3,4-difluoro-2-methylbut-1-ene
CID 119096846
2-amino-2,2-dichloroethanol;hydrochloride
CID 173208337
2,3-dichloro-3-methylbut-1-ene
CID 12615568
1-aminoethane-1,1-diol;hydrochloride
CID 173034802
prop-1-en-2-amine;yttrium
CID 158882655

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylprop-2-ene-1,1-diamine?
The IUPAC name of 1-chloro-2-methylprop-2-ene-1,1-diamine (CID 123338882) is 1-chloro-2-methylprop-2-ene-1,1-diamine.
What is the SMILES notation for 1-chloro-2-methylprop-2-ene-1,1-diamine?
The canonical SMILES for 1-chloro-2-methylprop-2-ene-1,1-diamine is C=C(C)C(N)(N)Cl.
What is the InChIKey of 1-chloro-2-methylprop-2-ene-1,1-diamine?
The InChIKey is SSDGJRIQQFCNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClN2/c1-3(2)4(5,6)7/h1,6-7H2,2H3.
What are the key properties of 1-chloro-2-methylprop-2-ene-1,1-diamine?
1-chloro-2-methylprop-2-ene-1,1-diamine has a molecular weight of 120.58 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylprop-2-ene-1,1-diamine is sourced from PubChem (CID 123338882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).