N,N-diethylpentan-3-amine;hydrobromide

C9H22BrN — CID 175223065

IUPACN,N-diethylpentan-3-amine;hydrobromide
SMILESBr.CCC(CC)N(CC)CC
InChIInChI=1S/C9H21N.BrH/c1-5-9(6-2)10(7-3)8-4;/h9H,5-8H2,1-4H3;1H
InChIKeyNEGMDIIDZYWWPL-UHFFFAOYSA-N
MW224.19 g/mol
LogP3.09
Rot. Bonds5

About N,N-diethylpentan-3-amine;hydrobromide

N,N-diethylpentan-3-amine;hydrobromide (PubChem CID 175223065) has the molecular formula C9H22BrN and a molecular weight of 224.19 g/mol. Its IUPAC name is N,N-diethylpentan-3-amine;hydrobromide.

Molecular Properties

Compound NameN,N-diethylpentan-3-amine;hydrobromide
PubChem CID175223065
Molecular FormulaC9H22BrN
Molecular Weight224.19 g/mol
Exact Mass223.09
IUPAC NameN,N-diethylpentan-3-amine;hydrobromide
SMILESBr.CCC(CC)N(CC)CC
InChIInChI=1S/C9H21N.BrH/c1-5-9(6-2)10(7-3)8-4;/h9H,5-8H2,1-4H3;1H
InChIKeyNEGMDIIDZYWWPL-UHFFFAOYSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylpentan-3-amine;hydrobromide?
The IUPAC name of N,N-diethylpentan-3-amine;hydrobromide (CID 175223065) is N,N-diethylpentan-3-amine;hydrobromide.
What is the SMILES notation for N,N-diethylpentan-3-amine;hydrobromide?
The canonical SMILES for N,N-diethylpentan-3-amine;hydrobromide is Br.CCC(CC)N(CC)CC.
What is the InChIKey of N,N-diethylpentan-3-amine;hydrobromide?
The InChIKey is NEGMDIIDZYWWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.BrH/c1-5-9(6-2)10(7-3)8-4;/h9H,5-8H2,1-4H3;1H.
What are the key properties of N,N-diethylpentan-3-amine;hydrobromide?
N,N-diethylpentan-3-amine;hydrobromide has a molecular weight of 224.19 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpentan-3-amine;hydrobromide is sourced from PubChem (CID 175223065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).