(2R)-N,N-diethyl-2-methylhexan-1-amine

C11H25N — CID 129390347

IUPAC(2R)-N,N-diethyl-2-methylhexan-1-amine
SMILESCCCC[C@@H](C)CN(CC)CC
InChIInChI=1S/C11H25N/c1-5-8-9-11(4)10-12(6-2)7-3/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyWOJNVNZNZOHVCY-LLVKDONJSA-N
MW171.33 g/mol
LogP3.15
Rot. Bonds7

About (2R)-N,N-diethyl-2-methylhexan-1-amine

(2R)-N,N-diethyl-2-methylhexan-1-amine (PubChem CID 129390347) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is (2R)-N,N-diethyl-2-methylhexan-1-amine.

Molecular Properties

Compound Name(2R)-N,N-diethyl-2-methylhexan-1-amine
PubChem CID129390347
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name(2R)-N,N-diethyl-2-methylhexan-1-amine
SMILESCCCC[C@@H](C)CN(CC)CC
InChIInChI=1S/C11H25N/c1-5-8-9-11(4)10-12(6-2)7-3/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyWOJNVNZNZOHVCY-LLVKDONJSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-N-ethyl-2-methylpentane-1,5-diamine
CID 104681772
N-ethyl-2-methyl-N-propan-2-ylhexan-1-amine
CID 89088751
N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine
CID 171517809
N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 89326365
ethane;2-methylhexane;propane
CID 144516512
ethane;hexane;2-methylhexane
CID 142051007
3-(diethylamino)-2-methylpropan-1-ol
CID 159908880
N,N-dimethylmethanamine;3-methylheptane
CID 143169890
curium;3-methylheptane
CID 59030306
N,N,2-trimethyltridecan-1-amine
CID 90750057
5,15-dimethylpentatriacontane
CID 6430641
5,11-dimethylheptacosane
CID 6430065

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-diethyl-2-methylhexan-1-amine?
The IUPAC name of (2R)-N,N-diethyl-2-methylhexan-1-amine (CID 129390347) is (2R)-N,N-diethyl-2-methylhexan-1-amine.
What is the SMILES notation for (2R)-N,N-diethyl-2-methylhexan-1-amine?
The canonical SMILES for (2R)-N,N-diethyl-2-methylhexan-1-amine is CCCC[C@@H](C)CN(CC)CC.
What is the InChIKey of (2R)-N,N-diethyl-2-methylhexan-1-amine?
The InChIKey is WOJNVNZNZOHVCY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H25N/c1-5-8-9-11(4)10-12(6-2)7-3/h11H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-N,N-diethyl-2-methylhexan-1-amine?
(2R)-N,N-diethyl-2-methylhexan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-diethyl-2-methylhexan-1-amine is sourced from PubChem (CID 129390347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).