N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane

C11H30N2 — CID 156874721

IUPACN',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane
SMILESCCC.CCN(CC)CCCNC.[H][H]
InChIInChI=1S/C8H20N2.C3H8.H2/c1-4-10(5-2)8-6-7-9-3;1-3-2;/h9H,4-8H2,1-3H3;3H2,1-2H3;1H
InChIKeyOFVRAIFGJPJFCT-UHFFFAOYSA-N
MW190.38 g/mol
LogP2.60
Rot. Bonds6

About N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane

N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane (PubChem CID 156874721) has the molecular formula C11H30N2 and a molecular weight of 190.38 g/mol. Its IUPAC name is N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane.

Molecular Properties

Compound NameN',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane
PubChem CID156874721
Molecular FormulaC11H30N2
Molecular Weight190.38 g/mol
Exact Mass190.24
IUPAC NameN',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane
SMILESCCC.CCN(CC)CCCNC.[H][H]
InChIInChI=1S/C8H20N2.C3H8.H2/c1-4-10(5-2)8-6-7-9-3;1-3-2;/h9H,4-8H2,1-3H3;3H2,1-2H3;1H
InChIKeyOFVRAIFGJPJFCT-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.38
LogP ≤ 52.60
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'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 142226092
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
N-[3-(diethylamino)propyl]hydroxylamine;ethane;molecular hydrogen
CID 145166805
N'-ethyl-N-methyl-N'-[3-(methylideneamino)propyl]propane-1,3-diamine
CID 89212435
N'-ethyl-N,N'-dimethylpropane-1,3-diamine;N-ethyl-N-methylbutan-1-amine;N,N',N'-triethylpropane-1,3-diamine
CID 159847702
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503
ethane;N-methylbutan-1-amine;propane
CID 142092371
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 134316858
N-[2-(diethylamino)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106034847
N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 61418451

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane?
The IUPAC name of N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane (CID 156874721) is N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane.
What is the SMILES notation for N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane?
The canonical SMILES for N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane is CCC.CCN(CC)CCCNC.[H][H].
What is the InChIKey of N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane?
The InChIKey is OFVRAIFGJPJFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.C3H8.H2/c1-4-10(5-2)8-6-7-9-3;1-3-2;/h9H,4-8H2,1-3H3;3H2,1-2H3;1H.
What are the key properties of N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane?
N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane has a molecular weight of 190.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane is sourced from PubChem (CID 156874721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).