1-N'-ethyl-1-N'-methylpropane-1,1-diamine

C6H16N2 — CID 18987876

IUPAC1-N'-ethyl-1-N'-methylpropane-1,1-diamine
SMILESCCC(N)N(C)CC
InChIInChI=1S/C6H16N2/c1-4-6(7)8(3)5-2/h6H,4-5,7H2,1-3H3
InChIKeyISXZYQQNIODTNF-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.63
Rot. Bonds3

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

1-N'-ethyl-1-N'-methylpropane-1,1-diamine (PubChem CID 18987876) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is 1-N'-ethyl-1-N'-methylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethyl-1-N'-methylpropane-1,1-diamine
PubChem CID18987876
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name1-N'-ethyl-1-N'-methylpropane-1,1-diamine
SMILESCCC(N)N(C)CC
InChIInChI=1S/C6H16N2/c1-4-6(7)8(3)5-2/h6H,4-5,7H2,1-3H3
InChIKeyISXZYQQNIODTNF-UHFFFAOYSA-N
XLogP0.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.63
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

N,N-Diethyl-1,3-propanediamine
CID 61011
N,N-bis(3-aminopropyl)methylamine
CID 7777
N,N-Dimethylpropanediamine
CID 169191
N-Ethyl-N-methylpropane-1,3-diamine
CID 15667718
N~1~-(3-Aminopropyl)propane-1,1-diamine
CID 23104344
Butane, 1-aminopropylamino-
CID 22184083
2-Diethyl-amino-1-ethylamine
CID 14345510
Diethylaminomethylamine
CID 18512508
N,N'-bis(3-aminoethyl)-1,3-propanediamine
CID 19755984
b-Diethylaminoethylamide
CID 20039214
N1-Methyl-N1-propyl-1,3-propanediamine
CID 20462033
1-N-[1-(dimethylamino)propyl]-1-N',1-N'-dimethylpropane-1,1-diamine
CID 21923996

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N'-methylpropane-1,1-diamine?
The IUPAC name of 1-N'-ethyl-1-N'-methylpropane-1,1-diamine (CID 18987876) is 1-N'-ethyl-1-N'-methylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-ethyl-1-N'-methylpropane-1,1-diamine?
The canonical SMILES for 1-N'-ethyl-1-N'-methylpropane-1,1-diamine is CCC(N)N(C)CC.
What is the InChIKey of 1-N'-ethyl-1-N'-methylpropane-1,1-diamine?
The InChIKey is ISXZYQQNIODTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-4-6(7)8(3)5-2/h6H,4-5,7H2,1-3H3.
What are the key properties of 1-N'-ethyl-1-N'-methylpropane-1,1-diamine?
1-N'-ethyl-1-N'-methylpropane-1,1-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.63, 3 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'-methylpropane-1,1-diamine is sourced from PubChem (CID 18987876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).