N,N-diethyl-2,2-dimethylpropan-1-amine;propane

C12H29N — CID 159791280

IUPACN,N-diethyl-2,2-dimethylpropan-1-amine;propane
SMILESCCC.CCN(CC)CC(C)(C)C
InChIInChI=1S/C9H21N.C3H8/c1-6-10(7-2)8-9(3,4)5;1-3-2/h6-8H2,1-5H3;3H2,1-2H3
InChIKeyNIOZZBUZILYJTL-UHFFFAOYSA-N
MW187.37 g/mol
LogP3.79
Rot. Bonds3

About N,N-diethyl-2,2-dimethylpropan-1-amine;propane

N,N-diethyl-2,2-dimethylpropan-1-amine;propane (PubChem CID 159791280) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is N,N-diethyl-2,2-dimethylpropan-1-amine;propane.

Molecular Properties

Compound NameN,N-diethyl-2,2-dimethylpropan-1-amine;propane
PubChem CID159791280
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC NameN,N-diethyl-2,2-dimethylpropan-1-amine;propane
SMILESCCC.CCN(CC)CC(C)(C)C
InChIInChI=1S/C9H21N.C3H8/c1-6-10(7-2)8-9(3,4)5;1-3-2/h6-8H2,1-5H3;3H2,1-2H3
InChIKeyNIOZZBUZILYJTL-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.79
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 N,N-diethyl-2,2-dimethylpropan-1-amine;propane?
The IUPAC name of N,N-diethyl-2,2-dimethylpropan-1-amine;propane (CID 159791280) is N,N-diethyl-2,2-dimethylpropan-1-amine;propane.
What is the SMILES notation for N,N-diethyl-2,2-dimethylpropan-1-amine;propane?
The canonical SMILES for N,N-diethyl-2,2-dimethylpropan-1-amine;propane is CCC.CCN(CC)CC(C)(C)C.
What is the InChIKey of N,N-diethyl-2,2-dimethylpropan-1-amine;propane?
The InChIKey is NIOZZBUZILYJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C3H8/c1-6-10(7-2)8-9(3,4)5;1-3-2/h6-8H2,1-5H3;3H2,1-2H3.
What are the key properties of N,N-diethyl-2,2-dimethylpropan-1-amine;propane?
N,N-diethyl-2,2-dimethylpropan-1-amine;propane has a molecular weight of 187.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-dimethylpropan-1-amine;propane is sourced from PubChem (CID 159791280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).