N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine

C12H28N2 — CID 62421290

IUPACN'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCCCN(C)CC(C)C
InChIInChI=1S/C12H28N2/c1-11(2)9-13-7-6-8-14(5)10-12(3)4/h11-13H,6-10H2,1-5H3
InChIKeyCURMWRKMZFEZQM-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.21
Rot. Bonds8

About N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine

N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine (PubChem CID 62421290) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine
PubChem CID62421290
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCCCN(C)CC(C)C
InChIInChI=1S/C12H28N2/c1-11(2)9-13-7-6-8-14(5)10-12(3)4/h11-13H,6-10H2,1-5H3
InChIKeyCURMWRKMZFEZQM-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.21
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'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62422401
N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine
CID 62421110
N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
CID 63725817
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 62426095
N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591894
N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 60868035
N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine
CID 63527329
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
CID 167108595
N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62436876
1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol
CID 155485180

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine (CID 62421290) is N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine is CC(C)CNCCCN(C)CC(C)C.
What is the InChIKey of N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine?
The InChIKey is CURMWRKMZFEZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-11(2)9-13-7-6-8-14(5)10-12(3)4/h11-13H,6-10H2,1-5H3.
What are the key properties of N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine?
N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62421290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).