N,2-diethylbutan-1-amine;hydrochloride

C8H20ClN — CID 171379469

IUPACN,2-diethylbutan-1-amine;hydrochloride
SMILESCCNCC(CC)CC.Cl
InChIInChI=1S/C8H19N.ClH/c1-4-8(5-2)7-9-6-3;/h8-9H,4-7H2,1-3H3;1H
InChIKeyWNQZZQZOVROZEE-UHFFFAOYSA-N
MW165.71 g/mol
LogP2.45
Rot. Bonds5

About N,2-diethylbutan-1-amine;hydrochloride

N,2-diethylbutan-1-amine;hydrochloride (PubChem CID 171379469) has the molecular formula C8H20ClN and a molecular weight of 165.71 g/mol. Its IUPAC name is N,2-diethylbutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,2-diethylbutan-1-amine;hydrochloride
PubChem CID171379469
Molecular FormulaC8H20ClN
Molecular Weight165.71 g/mol
Exact Mass165.13
IUPAC NameN,2-diethylbutan-1-amine;hydrochloride
SMILESCCNCC(CC)CC.Cl
InChIInChI=1S/C8H19N.ClH/c1-4-8(5-2)7-9-6-3;/h8-9H,4-7H2,1-3H3;1H
InChIKeyWNQZZQZOVROZEE-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.71
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-diethylhexan-1-amine
CID 14272988
N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine
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CID 106729692
N'-(2-ethylbutyl)ethane-1,2-diamine
CID 59135539
3-ethyl-1-(ethylamino)pentan-2-ol
CID 62774490
N,2-diethyl-5-ethylsulfonylpentan-1-amine
CID 65097608
2-chloro-N-ethylbutan-1-amine
CID 57191582
2-(ethylamino)-N-(2-ethylbutyl)acetamide
CID 115738196
ethane;N-ethyl-2-propylpentan-1-amine;pentane
CID 143708977
N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine
CID 115756913
N,3-diethylpentan-1-amine;ethane
CID 145372093
ethane;2-ethyl-N-methylbutan-1-amine
CID 143337044

Frequently Asked Questions

What is the IUPAC name of N,2-diethylbutan-1-amine;hydrochloride?
The IUPAC name of N,2-diethylbutan-1-amine;hydrochloride (CID 171379469) is N,2-diethylbutan-1-amine;hydrochloride.
What is the SMILES notation for N,2-diethylbutan-1-amine;hydrochloride?
The canonical SMILES for N,2-diethylbutan-1-amine;hydrochloride is CCNCC(CC)CC.Cl.
What is the InChIKey of N,2-diethylbutan-1-amine;hydrochloride?
The InChIKey is WNQZZQZOVROZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.ClH/c1-4-8(5-2)7-9-6-3;/h8-9H,4-7H2,1-3H3;1H.
What are the key properties of N,2-diethylbutan-1-amine;hydrochloride?
N,2-diethylbutan-1-amine;hydrochloride has a molecular weight of 165.71 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171379469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).