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

C9H26N2 — CID 159586340

IUPACN,N'-dimethyl-N'-propylethane-1,2-diamine;methane
SMILESC.C.CCCN(C)CCNC
InChIInChI=1S/C7H18N2.2CH4/c1-4-6-9(3)7-5-8-2;;/h8H,4-7H2,1-3H3;2*1H4
InChIKeyMJQWITDSRLSHBA-UHFFFAOYSA-N
MW162.32 g/mol
LogP1.82
Rot. Bonds5

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

N,N'-dimethyl-N'-propylethane-1,2-diamine;methane (PubChem CID 159586340) has the molecular formula C9H26N2 and a molecular weight of 162.32 g/mol. Its IUPAC name is N,N'-dimethyl-N'-propylethane-1,2-diamine;methane.

Molecular Properties

Compound NameN,N'-dimethyl-N'-propylethane-1,2-diamine;methane
PubChem CID159586340
Molecular FormulaC9H26N2
Molecular Weight162.32 g/mol
Exact Mass162.21
IUPAC NameN,N'-dimethyl-N'-propylethane-1,2-diamine;methane
SMILESC.C.CCCN(C)CCNC
InChIInChI=1S/C7H18N2.2CH4/c1-4-6-9(3)7-5-8-2;;/h8H,4-7H2,1-3H3;2*1H4
InChIKeyMJQWITDSRLSHBA-UHFFFAOYSA-N
XLogP1.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-heptyl-N,N'-dimethylethane-1,2-diamine
CID 43374401
N'-heptadecyl-N,N'-dimethylethane-1,2-diamine
CID 23574295
N,N'-dimethyl-N'-propylmethanediamine;ethane
CID 142961631
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142870975
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;methanol
CID 144534922
2-[methyl-[2-(methylamino)ethyl]amino]ethyl dihydrogen phosphite
CID 143880541
N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine
CID 90738299
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine
CID 145011873
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-propylethane-1,2-diamine;methane?
The IUPAC name of N,N'-dimethyl-N'-propylethane-1,2-diamine;methane (CID 159586340) is N,N'-dimethyl-N'-propylethane-1,2-diamine;methane.
What is the SMILES notation for N,N'-dimethyl-N'-propylethane-1,2-diamine;methane?
The canonical SMILES for N,N'-dimethyl-N'-propylethane-1,2-diamine;methane is C.C.CCCN(C)CCNC.
What is the InChIKey of N,N'-dimethyl-N'-propylethane-1,2-diamine;methane?
The InChIKey is MJQWITDSRLSHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2.2CH4/c1-4-6-9(3)7-5-8-2;;/h8H,4-7H2,1-3H3;2*1H4.
What are the key properties of N,N'-dimethyl-N'-propylethane-1,2-diamine;methane?
N,N'-dimethyl-N'-propylethane-1,2-diamine;methane has a molecular weight of 162.32 g/mol, XLogP of 1.82, 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;methane is sourced from PubChem (CID 159586340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).