ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen

C13H37N3 — CID 145215099

IUPACethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen
SMILESCC.CCNCCCCN(C)CCCCN.[H][H].[H][H]
InChIInChI=1S/C11H27N3.C2H6.2H2/c1-3-13-9-5-7-11-14(2)10-6-4-8-12;1-2;;/h13H,3-12H2,1-2H3;1-2H3;2*1H
InChIKeyNMUPJOYUDBOETG-UHFFFAOYSA-N
MW235.46 g/mol
LogP2.57
Rot. Bonds10

About ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen

ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen (PubChem CID 145215099) has the molecular formula C13H37N3 and a molecular weight of 235.46 g/mol. Its IUPAC name is ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen.

Molecular Properties

Compound Nameethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen
PubChem CID145215099
Molecular FormulaC13H37N3
Molecular Weight235.46 g/mol
Exact Mass235.30
IUPAC Nameethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen
SMILESCC.CCNCCCCN(C)CCCCN.[H][H].[H][H]
InChIInChI=1S/C11H27N3.C2H6.2H2/c1-3-13-9-5-7-11-14(2)10-6-4-8-12;1-2;;/h13H,3-12H2,1-2H3;1-2H3;2*1H
InChIKeyNMUPJOYUDBOETG-UHFFFAOYSA-N
XLogP2.57
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine
CID 71344458
N,N'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557
N,N'-bis(3-aminopropyl)-N'-[3-(ethylamino)propyl]heptane-1,7-diamine;pentahydrobromide
CID 158407936
N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
N'-[3-[3-(ethylamino)propylamino]propyl]pentane-1,5-diamine;tetrahydrobromide
CID 162339984
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866
N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 81068457
N'-(4-ethoxybutyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 156884771
N'-decyl-N-ethyl-N'-methylethane-1,2-diamine
CID 63526975
4-[4-(ethylamino)butoxy]butan-1-amine
CID 163399899
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen?
The IUPAC name of ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen (CID 145215099) is ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen.
What is the SMILES notation for ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen?
The canonical SMILES for ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen is CC.CCNCCCCN(C)CCCCN.[H][H].[H][H].
What is the InChIKey of ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen?
The InChIKey is NMUPJOYUDBOETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3.C2H6.2H2/c1-3-13-9-5-7-11-14(2)10-6-4-8-12;1-2;;/h13H,3-12H2,1-2H3;1-2H3;2*1H.
What are the key properties of ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen?
ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen has a molecular weight of 235.46 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[4-(ethylamino)butyl]-N'-methylbutane-1,4-diamine;molecular hydrogen is sourced from PubChem (CID 145215099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).