N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine

C12H28N2 — CID 65233192

IUPACN'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CN(C)CC(C)(C)C
InChIInChI=1S/C12H28N2/c1-6-7-11(8-13)9-14(5)10-12(2,3)4/h11H,6-10,13H2,1-5H3
InChIKeyCEIGTYQSZXZCBE-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.34
Rot. Bonds6

About N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine

N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine (PubChem CID 65233192) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine
PubChem CID65233192
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CN(C)CC(C)(C)C
InChIInChI=1S/C12H28N2/c1-6-7-11(8-13)9-14(5)10-12(2,3)4/h11H,6-10,13H2,1-5H3
InChIKeyCEIGTYQSZXZCBE-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine?
The IUPAC name of N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine (CID 65233192) is N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine?
The canonical SMILES for N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine is CCCC(CN)CN(C)CC(C)(C)C.
What is the InChIKey of N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine?
The InChIKey is CEIGTYQSZXZCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-7-11(8-13)9-14(5)10-12(2,3)4/h11H,6-10,13H2,1-5H3.
What are the key properties of N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine?
N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 65233192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).