N',N'-dimethyl-N-propylethane-1,2-diamine;ethane

C9H24N2 — CID 134080811

IUPACN',N'-dimethyl-N-propylethane-1,2-diamine;ethane
SMILESCC.CCCNCCN(C)C
InChIInChI=1S/C7H18N2.C2H6/c1-4-5-8-6-7-9(2)3;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyCWTYOUGFHNHJNH-UHFFFAOYSA-N
MW160.30 g/mol
LogP1.57
Rot. Bonds5

About N',N'-dimethyl-N-propylethane-1,2-diamine;ethane

N',N'-dimethyl-N-propylethane-1,2-diamine;ethane (PubChem CID 134080811) has the molecular formula C9H24N2 and a molecular weight of 160.30 g/mol. Its IUPAC name is N',N'-dimethyl-N-propylethane-1,2-diamine;ethane.

Molecular Properties

Compound NameN',N'-dimethyl-N-propylethane-1,2-diamine;ethane
PubChem CID134080811
Molecular FormulaC9H24N2
Molecular Weight160.30 g/mol
Exact Mass160.19
IUPAC NameN',N'-dimethyl-N-propylethane-1,2-diamine;ethane
SMILESCC.CCCNCCN(C)C
InChIInChI=1S/C7H18N2.C2H6/c1-4-5-8-6-7-9(2)3;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyCWTYOUGFHNHJNH-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.30
LogP ≤ 51.57
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-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62573813
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide
CID 52995491
N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine
CID 62436376
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594
N,N-dimethyl-3-[2-(propylamino)ethoxy]propan-1-amine
CID 55210850
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
N',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine
CID 62559325

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-propylethane-1,2-diamine;ethane?
The IUPAC name of N',N'-dimethyl-N-propylethane-1,2-diamine;ethane (CID 134080811) is N',N'-dimethyl-N-propylethane-1,2-diamine;ethane.
What is the SMILES notation for N',N'-dimethyl-N-propylethane-1,2-diamine;ethane?
The canonical SMILES for N',N'-dimethyl-N-propylethane-1,2-diamine;ethane is CC.CCCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-propylethane-1,2-diamine;ethane?
The InChIKey is CWTYOUGFHNHJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2.C2H6/c1-4-5-8-6-7-9(2)3;1-2/h8H,4-7H2,1-3H3;1-2H3.
What are the key properties of N',N'-dimethyl-N-propylethane-1,2-diamine;ethane?
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane has a molecular weight of 160.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-propylethane-1,2-diamine;ethane is sourced from PubChem (CID 134080811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).