N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine

C10H24N2 — CID 61386866

IUPACN'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
SMILESCCCCN(C)CCCNCC
InChIInChI=1S/C10H24N2/c1-4-6-9-12(3)10-7-8-11-5-2/h11H,4-10H2,1-3H3
InChIKeyVGODTROXHFIDFS-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.72
Rot. Bonds8

About N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine

N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine (PubChem CID 61386866) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
PubChem CID61386866
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
SMILESCCCCN(C)CCCNCC
InChIInChI=1S/C10H24N2/c1-4-6-9-12(3)10-7-8-11-5-2/h11H,4-10H2,1-3H3
InChIKeyVGODTROXHFIDFS-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.72
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'-decyl-N-ethyl-N'-methylethane-1,2-diamine
CID 63526975
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029
N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 61386626
N'-ethyl-N,N'-dimethylpropane-1,3-diamine;N-ethyl-N-methylbutan-1-amine;N,N',N'-triethylpropane-1,3-diamine
CID 159847702
ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
CID 163269208
N,N'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557
N,N'-dibutyl-N'-methylmethanediamine
CID 166686038
N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63865857
N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
CID 62560197
N-butyl-N-methylpentan-1-amine
CID 54060013
N-ethyl-N',N'-dipropylpropane-1,3-diamine
CID 19755940

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine (CID 61386866) is N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine is CCCCN(C)CCCNCC.
What is the InChIKey of N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine?
The InChIKey is VGODTROXHFIDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-4-6-9-12(3)10-7-8-11-5-2/h11H,4-10H2,1-3H3.
What are the key properties of N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine?
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 61386866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).