N,N'-dibutyl-N'-methylmethanediamine

C10H24N2 — CID 166686038

IUPACN,N'-dibutyl-N'-methylmethanediamine
SMILESCCCCNCN(C)CCCC
InChIInChI=1S/C10H24N2/c1-4-6-8-11-10-12(3)9-7-5-2/h11H,4-10H2,1-3H3
InChIKeyAFVCARYLAOXVFI-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.07
Rot. Bonds8

About N,N'-dibutyl-N'-methylmethanediamine

N,N'-dibutyl-N'-methylmethanediamine (PubChem CID 166686038) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N,N'-dibutyl-N'-methylmethanediamine.

Molecular Properties

Compound NameN,N'-dibutyl-N'-methylmethanediamine
PubChem CID166686038
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN,N'-dibutyl-N'-methylmethanediamine
SMILESCCCCNCN(C)CCCC
InChIInChI=1S/C10H24N2/c1-4-6-8-11-10-12(3)9-7-5-2/h11H,4-10H2,1-3H3
InChIKeyAFVCARYLAOXVFI-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N,N'-dibutyl-N'-methylmethanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-heptyl-N'-methyl-N'-nonylmethanediamine
CID 123624705
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029
N'-ethyl-N'-methyl-N-pentylmethanediamine;icosane
CID 174394236
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 61386626
butan-1-amine;N-butylbutan-1-amine;N,N-dibutylbutan-1-amine
CID 160890057
N-butyl-N-methylpentan-1-amine
CID 54060013
N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386623
N'-ethyl-N,N'-dimethylpropane-1,3-diamine;N-ethyl-N-methylbutan-1-amine;N,N',N'-triethylpropane-1,3-diamine
CID 159847702
N-butylbutan-1-amine;hydrochloride
CID 3083954

Frequently Asked Questions

What is the IUPAC name of N,N'-dibutyl-N'-methylmethanediamine?
The IUPAC name of N,N'-dibutyl-N'-methylmethanediamine (CID 166686038) is N,N'-dibutyl-N'-methylmethanediamine.
What is the SMILES notation for N,N'-dibutyl-N'-methylmethanediamine?
The canonical SMILES for N,N'-dibutyl-N'-methylmethanediamine is CCCCNCN(C)CCCC.
What is the InChIKey of N,N'-dibutyl-N'-methylmethanediamine?
The InChIKey is AFVCARYLAOXVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-4-6-8-11-10-12(3)9-7-5-2/h11H,4-10H2,1-3H3.
What are the key properties of N,N'-dibutyl-N'-methylmethanediamine?
N,N'-dibutyl-N'-methylmethanediamine has a molecular weight of 172.32 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutyl-N'-methylmethanediamine is sourced from PubChem (CID 166686038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).