N,N-diethyl-6-methyloctan-3-amine;hydrofluoride

C13H30FN — CID 174901011

IUPACN,N-diethyl-6-methyloctan-3-amine;hydrofluoride
SMILESCCC(C)CCC(CC)N(CC)CC.F
InChIInChI=1S/C13H29N.FH/c1-6-12(5)10-11-13(7-2)14(8-3)9-4;/h12-13H,6-11H2,1-5H3;1H
InChIKeyHOUJEFPVBYVMRG-UHFFFAOYSA-N
MW219.39 g/mol
LogP4.09
Rot. Bonds8

About N,N-diethyl-6-methyloctan-3-amine;hydrofluoride

N,N-diethyl-6-methyloctan-3-amine;hydrofluoride (PubChem CID 174901011) has the molecular formula C13H30FN and a molecular weight of 219.39 g/mol. Its IUPAC name is N,N-diethyl-6-methyloctan-3-amine;hydrofluoride.

Molecular Properties

Compound NameN,N-diethyl-6-methyloctan-3-amine;hydrofluoride
PubChem CID174901011
Molecular FormulaC13H30FN
Molecular Weight219.39 g/mol
Exact Mass219.24
IUPAC NameN,N-diethyl-6-methyloctan-3-amine;hydrofluoride
SMILESCCC(C)CCC(CC)N(CC)CC.F
InChIInChI=1S/C13H29N.FH/c1-6-12(5)10-11-13(7-2)14(8-3)9-4;/h12-13H,6-11H2,1-5H3;1H
InChIKeyHOUJEFPVBYVMRG-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 172617141
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2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
N-ethyl-N,5-dimethylheptan-2-amine
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ethane;N-methyl-N-(6-methyloctan-3-yl)acetamide
CID 163396265
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
(3R,6R)-3,6-dimethylnonane
CID 170848352
2,5-dimethylheptane;propane
CID 145235091
2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62439025
(3R,7R)-3,7-dimethylnonane
CID 42626759
N,N-diethylpentan-3-amine;isocyanic acid
CID 88747360

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methyloctan-3-amine;hydrofluoride?
The IUPAC name of N,N-diethyl-6-methyloctan-3-amine;hydrofluoride (CID 174901011) is N,N-diethyl-6-methyloctan-3-amine;hydrofluoride.
What is the SMILES notation for N,N-diethyl-6-methyloctan-3-amine;hydrofluoride?
The canonical SMILES for N,N-diethyl-6-methyloctan-3-amine;hydrofluoride is CCC(C)CCC(CC)N(CC)CC.F.
What is the InChIKey of N,N-diethyl-6-methyloctan-3-amine;hydrofluoride?
The InChIKey is HOUJEFPVBYVMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.FH/c1-6-12(5)10-11-13(7-2)14(8-3)9-4;/h12-13H,6-11H2,1-5H3;1H.
What are the key properties of N,N-diethyl-6-methyloctan-3-amine;hydrofluoride?
N,N-diethyl-6-methyloctan-3-amine;hydrofluoride has a molecular weight of 219.39 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methyloctan-3-amine;hydrofluoride is sourced from PubChem (CID 174901011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).