1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine

C7H18N2 — CID 123725071

IUPAC1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine
SMILESCCC(NC)N(C)CC
InChIInChI=1S/C7H18N2/c1-5-7(8-3)9(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyPKNIDWNKPWMMBF-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.89
Rot. Bonds4

About 1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine

1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine (PubChem CID 123725071) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine
PubChem CID123725071
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine
SMILESCCC(NC)N(C)CC
InChIInChI=1S/C7H18N2/c1-5-7(8-3)9(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyPKNIDWNKPWMMBF-UHFFFAOYSA-N
XLogP0.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine
CID 175151430
1-N'-ethyl-3-(iminomethylideneamino)-1-N,1-N'-dimethylpropane-1,1-diamine
CID 89315942
N-ethyl-N,3-dimethylpentan-2-amine
CID 89053898
1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine
CID 175965155
1-N',1-N'-dimethyl-1-N-propylpropane-1,1-diamine
CID 87287552
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
1-N'-ethyl-1-N'-methylpropane-1,1-diamine
CID 18987876
1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride
CID 23325980
1-chloro-N-ethyl-N-methylbutan-2-amine
CID 130629325
1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine
CID 123387259
N',N'-bis[1-(methylamino)propyl]octane-1,8-diamine;tetrahydrochloride
CID 19030158
1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine
CID 81011772

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine?
The IUPAC name of 1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine (CID 123725071) is 1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine?
The canonical SMILES for 1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine is CCC(NC)N(C)CC.
What is the InChIKey of 1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine?
The InChIKey is PKNIDWNKPWMMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-5-7(8-3)9(4)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine?
1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine is sourced from PubChem (CID 123725071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).