N,N-diethyl-2-fluoro-4-methylpentan-1-amine

C10H22FN — CID 118000411

IUPACN,N-diethyl-2-fluoro-4-methylpentan-1-amine
SMILESCCN(CC)CC(F)CC(C)C
InChIInChI=1S/C10H22FN/c1-5-12(6-2)8-10(11)7-9(3)4/h9-10H,5-8H2,1-4H3
InChIKeySXYVDNWCSPDFFB-UHFFFAOYSA-N
MW175.29 g/mol
LogP2.71
Rot. Bonds6

About N,N-diethyl-2-fluoro-4-methylpentan-1-amine

N,N-diethyl-2-fluoro-4-methylpentan-1-amine (PubChem CID 118000411) has the molecular formula C10H22FN and a molecular weight of 175.29 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-4-methylpentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-4-methylpentan-1-amine
PubChem CID118000411
Molecular FormulaC10H22FN
Molecular Weight175.29 g/mol
Exact Mass175.17
IUPAC NameN,N-diethyl-2-fluoro-4-methylpentan-1-amine
SMILESCCN(CC)CC(F)CC(C)C
InChIInChI=1S/C10H22FN/c1-5-12(6-2)8-10(11)7-9(3)4/h9-10H,5-8H2,1-4H3
InChIKeySXYVDNWCSPDFFB-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-4-methylpentan-1-amine?
The IUPAC name of N,N-diethyl-2-fluoro-4-methylpentan-1-amine (CID 118000411) is N,N-diethyl-2-fluoro-4-methylpentan-1-amine.
What is the SMILES notation for N,N-diethyl-2-fluoro-4-methylpentan-1-amine?
The canonical SMILES for N,N-diethyl-2-fluoro-4-methylpentan-1-amine is CCN(CC)CC(F)CC(C)C.
What is the InChIKey of N,N-diethyl-2-fluoro-4-methylpentan-1-amine?
The InChIKey is SXYVDNWCSPDFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN/c1-5-12(6-2)8-10(11)7-9(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of N,N-diethyl-2-fluoro-4-methylpentan-1-amine?
N,N-diethyl-2-fluoro-4-methylpentan-1-amine has a molecular weight of 175.29 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-4-methylpentan-1-amine is sourced from PubChem (CID 118000411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).