N-ethyl-N,5-dimethylheptan-2-amine

C11H25N — CID 91289323

IUPACN-ethyl-N,5-dimethylheptan-2-amine
SMILESCCC(C)CCC(C)N(C)CC
InChIInChI=1S/C11H25N/c1-6-10(3)8-9-11(4)12(5)7-2/h10-11H,6-9H2,1-5H3
InChIKeyQDDQLSGBWOLMFV-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.15
Rot. Bonds6

About N-ethyl-N,5-dimethylheptan-2-amine

N-ethyl-N,5-dimethylheptan-2-amine (PubChem CID 91289323) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-ethyl-N,5-dimethylheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-N,5-dimethylheptan-2-amine
PubChem CID91289323
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-ethyl-N,5-dimethylheptan-2-amine
SMILESCCC(C)CCC(C)N(C)CC
InChIInChI=1S/C11H25N/c1-6-10(3)8-9-11(4)12(5)7-2/h10-11H,6-9H2,1-5H3
InChIKeyQDDQLSGBWOLMFV-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

ethane;(2R)-N-ethyl-N-methylpentan-2-amine
CID 142583789
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine
CID 166139395
N-ethyl-N,7-dimethyloctan-2-amine
CID 123377571
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride
CID 176934799
(3R,6R)-3,6-dimethylnonane
CID 170848352
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
2,5-dimethylheptane;propane
CID 145235091
N,N-diethyl-6-methyloctan-3-amine;hydrofluoride
CID 174901011
N,N-dimethylmethanamine;3-methylheptane
CID 143169890

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,5-dimethylheptan-2-amine?
The IUPAC name of N-ethyl-N,5-dimethylheptan-2-amine (CID 91289323) is N-ethyl-N,5-dimethylheptan-2-amine.
What is the SMILES notation for N-ethyl-N,5-dimethylheptan-2-amine?
The canonical SMILES for N-ethyl-N,5-dimethylheptan-2-amine is CCC(C)CCC(C)N(C)CC.
What is the InChIKey of N-ethyl-N,5-dimethylheptan-2-amine?
The InChIKey is QDDQLSGBWOLMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-10(3)8-9-11(4)12(5)7-2/h10-11H,6-9H2,1-5H3.
What are the key properties of N-ethyl-N,5-dimethylheptan-2-amine?
N-ethyl-N,5-dimethylheptan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,5-dimethylheptan-2-amine is sourced from PubChem (CID 91289323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).