N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine

C12H28N2 — CID 79660847

IUPACN'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
SMILESCCN(CCC(C)C)CC(C)(C)CN
InChIInChI=1S/C12H28N2/c1-6-14(8-7-11(2)3)10-12(4,5)9-13/h11H,6-10,13H2,1-5H3
InChIKeyOSYOWOSSSFYVDA-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.34
Rot. Bonds7

About N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine (PubChem CID 79660847) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
PubChem CID79660847
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
SMILESCCN(CCC(C)C)CC(C)(C)CN
InChIInChI=1S/C12H28N2/c1-6-14(8-7-11(2)3)10-12(4,5)9-13/h11H,6-10,13H2,1-5H3
InChIKeyOSYOWOSSSFYVDA-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine
CID 79659967
N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79662145
3-[(3-amino-2,2-dimethylpropyl)-ethylamino]-2-methylpropanenitrile
CID 78987351
2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 107871155
N'-ethyl-2,2-dimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine
CID 79659864
N'-ethyl-N,N,2,2-tetramethyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 170043277
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide
CID 79662393
N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 79668372
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
1-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]pyridin-2-one
CID 82907637
3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide
CID 79661269
2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 61425411

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine (CID 79660847) is N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine is CCN(CCC(C)C)CC(C)(C)CN.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine?
The InChIKey is OSYOWOSSSFYVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-14(8-7-11(2)3)10-12(4,5)9-13/h11H,6-10,13H2,1-5H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine is sourced from PubChem (CID 79660847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).