Diethylneopentylamine

C9H21N — CID 418030

IUPACN,N-diethyl-2,2-dimethylpropan-1-amine
SMILESCCN(CC)CC(C)(C)C
InChIInChI=1S/C9H21N/c1-6-10(7-2)8-9(3,4)5/h6-8H2,1-5H3
InChIKeyTYMAWXRCUDNHPS-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.70
Rot. Bonds4

About Diethylneopentylamine

Diethylneopentylamine (PubChem CID 418030) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N,N-diethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameDiethylneopentylamine
PubChem CID418030
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN,N-diethyl-2,2-dimethylpropan-1-amine
SMILESCCN(CC)CC(C)(C)C
InChIInChI=1S/C9H21N/c1-6-10(7-2)8-9(3,4)5/h6-8H2,1-5H3
InChIKeyTYMAWXRCUDNHPS-UHFFFAOYSA-N
XLogP2.70
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity77

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tributylamine
CID 7622
Tripropylamine
CID 7616
Tetrapropylammonium iodide
CID 12429
N-Methyldibutylamine
CID 18855
Triisobutylamine
CID 14222
Tetrapropylammonium bromide
CID 74745
Tetrapropylammonium
CID 9559
Diethylbutylamine
CID 20513
Di-n-butylethylamine
CID 78207
Tetrapropylammonium chloride
CID 79880
N,N-Dipropylethylamine
CID 519799
N-Methyldipropylamine
CID 559387

Frequently Asked Questions

What is the IUPAC name of Diethylneopentylamine?
The IUPAC name of Diethylneopentylamine (CID 418030) is N,N-diethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for Diethylneopentylamine?
The canonical SMILES for Diethylneopentylamine is CCN(CC)CC(C)(C)C.
What is the InChIKey of Diethylneopentylamine?
The InChIKey is TYMAWXRCUDNHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-6-10(7-2)8-9(3,4)5/h6-8H2,1-5H3.
What are the key properties of Diethylneopentylamine?
Diethylneopentylamine has a molecular weight of 143.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Diethylneopentylamine is sourced from PubChem (CID 418030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).