N,N'-diethyl-N'-methylbutane-1,4-diamine

C9H22N2 — CID 62418557

IUPACN,N'-diethyl-N'-methylbutane-1,4-diamine
SMILESCCNCCCCN(C)CC
InChIInChI=1S/C9H22N2/c1-4-10-8-6-7-9-11(3)5-2/h10H,4-9H2,1-3H3
InChIKeyPRMXDKMBMWGGFN-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.33
Rot. Bonds7

About N,N'-diethyl-N'-methylbutane-1,4-diamine

N,N'-diethyl-N'-methylbutane-1,4-diamine (PubChem CID 62418557) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N,N'-diethyl-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-methylbutane-1,4-diamine
PubChem CID62418557
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN,N'-diethyl-N'-methylbutane-1,4-diamine
SMILESCCNCCCCN(C)CC
InChIInChI=1S/C9H22N2/c1-4-10-8-6-7-9-11(3)5-2/h10H,4-9H2,1-3H3
InChIKeyPRMXDKMBMWGGFN-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62427958
N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386623
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866
N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 156884771
N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 81068457
ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen
CID 145215099
N'-ethyl-N,N'-dimethylpropane-1,3-diamine;N-ethyl-N-methylbutan-1-amine;N,N',N'-triethylpropane-1,3-diamine
CID 159847702
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
N'-decyl-N-ethyl-N'-methylethane-1,2-diamine
CID 63526975
N,N'-diethylpentane-1,5-diamine
CID 15013244
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-methylbutane-1,4-diamine?
The IUPAC name of N,N'-diethyl-N'-methylbutane-1,4-diamine (CID 62418557) is N,N'-diethyl-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N,N'-diethyl-N'-methylbutane-1,4-diamine?
The canonical SMILES for N,N'-diethyl-N'-methylbutane-1,4-diamine is CCNCCCCN(C)CC.
What is the InChIKey of N,N'-diethyl-N'-methylbutane-1,4-diamine?
The InChIKey is PRMXDKMBMWGGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-10-8-6-7-9-11(3)5-2/h10H,4-9H2,1-3H3.
What are the key properties of N,N'-diethyl-N'-methylbutane-1,4-diamine?
N,N'-diethyl-N'-methylbutane-1,4-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 62418557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).