N,3-diethylheptan-3-amine

C11H25N — CID 588385

IUPACN,3-diethylheptan-3-amine
SMILESCCCCC(CC)(CC)NCC
InChIInChI=1S/C11H25N/c1-5-9-10-11(6-2,7-3)12-8-4/h12H,5-10H2,1-4H3
InChIKeyAQMCXVRQNSEGFI-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.34
Rot. Bonds7

About N,3-diethylheptan-3-amine

N,3-diethylheptan-3-amine (PubChem CID 588385) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N,3-diethylheptan-3-amine.

Molecular Properties

Compound NameN,3-diethylheptan-3-amine
PubChem CID588385
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN,3-diethylheptan-3-amine
SMILESCCCCC(CC)(CC)NCC
InChIInChI=1S/C11H25N/c1-5-9-10-11(6-2,7-3)12-8-4/h12H,5-10H2,1-4H3
InChIKeyAQMCXVRQNSEGFI-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-diethylheptan-3-amine?
The IUPAC name of N,3-diethylheptan-3-amine (CID 588385) is N,3-diethylheptan-3-amine.
What is the SMILES notation for N,3-diethylheptan-3-amine?
The canonical SMILES for N,3-diethylheptan-3-amine is CCCCC(CC)(CC)NCC.
What is the InChIKey of N,3-diethylheptan-3-amine?
The InChIKey is AQMCXVRQNSEGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-5-9-10-11(6-2,7-3)12-8-4/h12H,5-10H2,1-4H3.
What are the key properties of N,3-diethylheptan-3-amine?
N,3-diethylheptan-3-amine has a molecular weight of 171.33 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethylheptan-3-amine is sourced from PubChem (CID 588385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).