1-chloro-N,N-dimethylpropane-1,3-diamine

C5H13ClN2 — CID 56979251

IUPAC1-chloro-N,N-dimethylpropane-1,3-diamine
SMILESCN(C)C(Cl)CCN
InChIInChI=1S/C5H13ClN2/c1-8(2)5(6)3-4-7/h5H,3-4,7H2,1-2H3
InChIKeyHAUUXUBJACGMIH-UHFFFAOYSA-N
MW136.63 g/mol
LogP0.46
Rot. Bonds3

About 1-chloro-N,N-dimethylpropane-1,3-diamine

1-chloro-N,N-dimethylpropane-1,3-diamine (PubChem CID 56979251) has the molecular formula C5H13ClN2 and a molecular weight of 136.63 g/mol. Its IUPAC name is 1-chloro-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-chloro-N,N-dimethylpropane-1,3-diamine
PubChem CID56979251
Molecular FormulaC5H13ClN2
Molecular Weight136.63 g/mol
Exact Mass136.08
IUPAC Name1-chloro-N,N-dimethylpropane-1,3-diamine
SMILESCN(C)C(Cl)CCN
InChIInChI=1S/C5H13ClN2/c1-8(2)5(6)3-4-7/h5H,3-4,7H2,1-2H3
InChIKeyHAUUXUBJACGMIH-UHFFFAOYSA-N
XLogP0.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.63
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-methylpropan-1-amine
CID 541874
3-(Ethyl-2-chloroethyl)aminopropylamine dihydrochloride
CID 159671
N-(2-Chloroethyl)-N-methyl-1,3-propanediamine
CID 135745
3-Chloropropyl(dimethyl)azanium
CID 4433367
3-Chloropropyl(dimethyl)azanium chloride
CID 11105619
1-chloro-N,N'-dimethylpropane-1,3-diamine
CID 54309044
(3-Amino-3-chloropropyl)-trimethylazanium
CID 57016490
1-chloro-N-methylpropan-1-amine
CID 87594605
1-chloroethanamine;N,N-dimethylmethanamine
CID 87752765
2-chloroethanamine;N,N-dimethylmethanamine
CID 87770538
1-chloro-N',N'-diethylpropane-1,3-diamine
CID 87843993
1-chloropropan-1-amine;N,N-dimethylmethanamine
CID 87947838

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of 1-chloro-N,N-dimethylpropane-1,3-diamine (CID 56979251) is 1-chloro-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-chloro-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-chloro-N,N-dimethylpropane-1,3-diamine is CN(C)C(Cl)CCN.
What is the InChIKey of 1-chloro-N,N-dimethylpropane-1,3-diamine?
The InChIKey is HAUUXUBJACGMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClN2/c1-8(2)5(6)3-4-7/h5H,3-4,7H2,1-2H3.
What are the key properties of 1-chloro-N,N-dimethylpropane-1,3-diamine?
1-chloro-N,N-dimethylpropane-1,3-diamine has a molecular weight of 136.63 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 56979251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).