N,N'-dimethyl-N'-propylmethanediamine;ethane

C8H22N2 — CID 142961631

IUPACN,N'-dimethyl-N'-propylmethanediamine;ethane
SMILESCC.CCCN(C)CNC
InChIInChI=1S/C6H16N2.C2H6/c1-4-5-8(3)6-7-2;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyBQHZDOVRPZMBLB-UHFFFAOYSA-N
MW146.28 g/mol
LogP1.53
Rot. Bonds4

About N,N'-dimethyl-N'-propylmethanediamine;ethane

N,N'-dimethyl-N'-propylmethanediamine;ethane (PubChem CID 142961631) has the molecular formula C8H22N2 and a molecular weight of 146.28 g/mol. Its IUPAC name is N,N'-dimethyl-N'-propylmethanediamine;ethane.

Molecular Properties

Compound NameN,N'-dimethyl-N'-propylmethanediamine;ethane
PubChem CID142961631
Molecular FormulaC8H22N2
Molecular Weight146.28 g/mol
Exact Mass146.18
IUPAC NameN,N'-dimethyl-N'-propylmethanediamine;ethane
SMILESCC.CCCN(C)CNC
InChIInChI=1S/C6H16N2.C2H6/c1-4-5-8(3)6-7-2;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyBQHZDOVRPZMBLB-UHFFFAOYSA-N
XLogP1.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 51.53
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'-dimethyl-N'-propylethane-1,2-diamine;methane
CID 159586340
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142870975
N-(methylaminomethyl)-N-propylhydroxylamine
CID 89116814
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
N'-(4-methoxybutyl)-N,N'-dimethylmethanediamine
CID 143448630
N-but-1-ynyl-N'-methyl-N'-propylmethanediamine
CID 170269417
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine;methanol
CID 144534922
1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 62848218
ethane;propane;N,N',N'-trimethylethane-1,2-diamine
CID 143559684
ethane;N'-methyl-N'-propylethane-1,2-diamine
CID 164863386
N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine
CID 114525574

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-propylmethanediamine;ethane?
The IUPAC name of N,N'-dimethyl-N'-propylmethanediamine;ethane (CID 142961631) is N,N'-dimethyl-N'-propylmethanediamine;ethane.
What is the SMILES notation for N,N'-dimethyl-N'-propylmethanediamine;ethane?
The canonical SMILES for N,N'-dimethyl-N'-propylmethanediamine;ethane is CC.CCCN(C)CNC.
What is the InChIKey of N,N'-dimethyl-N'-propylmethanediamine;ethane?
The InChIKey is BQHZDOVRPZMBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C2H6/c1-4-5-8(3)6-7-2;1-2/h7H,4-6H2,1-3H3;1-2H3.
What are the key properties of N,N'-dimethyl-N'-propylmethanediamine;ethane?
N,N'-dimethyl-N'-propylmethanediamine;ethane has a molecular weight of 146.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-propylmethanediamine;ethane is sourced from PubChem (CID 142961631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).