N-ethyl-3,5-dimethylheptan-4-amine

C11H25N — CID 79446924

IUPACN-ethyl-3,5-dimethylheptan-4-amine
SMILESCCNC(C(C)CC)C(C)CC
InChIInChI=1S/C11H25N/c1-6-9(4)11(12-8-3)10(5)7-2/h9-12H,6-8H2,1-5H3
InChIKeyHBSYUIUISSCBOD-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds6

About N-ethyl-3,5-dimethylheptan-4-amine

N-ethyl-3,5-dimethylheptan-4-amine (PubChem CID 79446924) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-ethyl-3,5-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethylheptan-4-amine
PubChem CID79446924
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-ethyl-3,5-dimethylheptan-4-amine
SMILESCCNC(C(C)CC)C(C)CC
InChIInChI=1S/C11H25N/c1-6-9(4)11(12-8-3)10(5)7-2/h9-12H,6-8H2,1-5H3
InChIKeyHBSYUIUISSCBOD-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethylheptan-4-amine?
The IUPAC name of N-ethyl-3,5-dimethylheptan-4-amine (CID 79446924) is N-ethyl-3,5-dimethylheptan-4-amine.
What is the SMILES notation for N-ethyl-3,5-dimethylheptan-4-amine?
The canonical SMILES for N-ethyl-3,5-dimethylheptan-4-amine is CCNC(C(C)CC)C(C)CC.
What is the InChIKey of N-ethyl-3,5-dimethylheptan-4-amine?
The InChIKey is HBSYUIUISSCBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-9(4)11(12-8-3)10(5)7-2/h9-12H,6-8H2,1-5H3.
What are the key properties of N-ethyl-3,5-dimethylheptan-4-amine?
N-ethyl-3,5-dimethylheptan-4-amine has a molecular weight of 171.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethylheptan-4-amine is sourced from PubChem (CID 79446924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).