N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine

C12H28N2 — CID 58105681

IUPACN-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(C)CCN(C(C)C)C(C)C
InChIInChI=1S/C12H28N2/c1-10(2)13(7)8-9-14(11(3)4)12(5)6/h10-12H,8-9H2,1-7H3
InChIKeyPXOMRDISLMOZRP-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.45
Rot. Bonds6

About N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine

N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine (PubChem CID 58105681) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
PubChem CID58105681
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(C)CCN(C(C)C)C(C)C
InChIInChI=1S/C12H28N2/c1-10(2)13(7)8-9-14(11(3)4)12(5)6/h10-12H,8-9H2,1-7H3
InChIKeyPXOMRDISLMOZRP-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-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

propane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143725559
N-[2-[di(propan-2-yl)amino]ethyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 59309380
N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 165403745
ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 176935759
3-bromo-N-methyl-N-propan-2-ylpropan-1-amine
CID 61287527
N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 165377780
N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine
CID 167101459
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
ethene;N-(2-methoxyethyl)-N-methylpropan-2-amine
CID 142497540
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N-(2-ethoxyethyl)-N-propan-2-ylpropan-2-amine
CID 575118
N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methylpropan-2-amine
CID 170129105

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine (CID 58105681) is N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine is CC(C)N(C)CCN(C(C)C)C(C)C.
What is the InChIKey of N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine?
The InChIKey is PXOMRDISLMOZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-10(2)13(7)8-9-14(11(3)4)12(5)6/h10-12H,8-9H2,1-7H3.
What are the key properties of N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine?
N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 58105681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).