N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine

C13H28N2 — CID 103069188

IUPACN,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC)CN(CCCC)CCCC
InChIInChI=1S/C13H28N2/c1-5-7-9-15(10-8-6-2)12-13(3)11-14-4/h14H,3,5-12H2,1-2,4H3
InChIKeyBWZLWTPMHFUHAS-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.66
Rot. Bonds10

About N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine

N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine (PubChem CID 103069188) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine
PubChem CID103069188
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC)CN(CCCC)CCCC
InChIInChI=1S/C13H28N2/c1-5-7-9-15(10-8-6-2)12-13(3)11-14-4/h14H,3,5-12H2,1-2,4H3
InChIKeyBWZLWTPMHFUHAS-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine 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-butan-2-yl-N-butyl-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070056
2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol
CID 103069826
N-methyl-2-methylidenedecan-1-amine
CID 126493414
2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069561
N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 58312291
2-[benzyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
CID 103070296
N-cyclopropyl-2-methylidene-N',N'-dipropylpropane-1,3-diamine
CID 103068881
2-[butyl-[2-(butylamino)ethyl]amino]acetic acid
CID 102514170
5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol
CID 107203626
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine
CID 164579535
3-[2-[(tert-butylamino)methyl]prop-2-enyl-ethylamino]propan-1-ol
CID 103071277

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine?
The IUPAC name of N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine (CID 103069188) is N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine is C=C(CNC)CN(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine?
The InChIKey is BWZLWTPMHFUHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-7-9-15(10-8-6-2)12-13(3)11-14-4/h14H,3,5-12H2,1-2,4H3.
What are the key properties of N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine?
N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103069188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).