N-(fluoromethyl)-N-methylbutan-1-amine

C6H14FN — CID 126636484

IUPACN-(fluoromethyl)-N-methylbutan-1-amine
SMILESCCCCN(C)CF
InChIInChI=1S/C6H14FN/c1-3-4-5-8(2)6-7/h3-6H2,1-2H3
InChIKeyWXXRQUTURNRKJY-UHFFFAOYSA-N
MW119.18 g/mol
LogP1.65
Rot. Bonds4

About N-(fluoromethyl)-N-methylbutan-1-amine

N-(fluoromethyl)-N-methylbutan-1-amine (PubChem CID 126636484) has the molecular formula C6H14FN and a molecular weight of 119.18 g/mol. Its IUPAC name is N-(fluoromethyl)-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-(fluoromethyl)-N-methylbutan-1-amine
PubChem CID126636484
Molecular FormulaC6H14FN
Molecular Weight119.18 g/mol
Exact Mass119.11
IUPAC NameN-(fluoromethyl)-N-methylbutan-1-amine
SMILESCCCCN(C)CF
InChIInChI=1S/C6H14FN/c1-3-4-5-8(2)6-7/h3-6H2,1-2H3
InChIKeyWXXRQUTURNRKJY-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-methylpentan-1-amine
CID 54060013
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569

Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-N-methylbutan-1-amine?
The IUPAC name of N-(fluoromethyl)-N-methylbutan-1-amine (CID 126636484) is N-(fluoromethyl)-N-methylbutan-1-amine.
What is the SMILES notation for N-(fluoromethyl)-N-methylbutan-1-amine?
The canonical SMILES for N-(fluoromethyl)-N-methylbutan-1-amine is CCCCN(C)CF.
What is the InChIKey of N-(fluoromethyl)-N-methylbutan-1-amine?
The InChIKey is WXXRQUTURNRKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN/c1-3-4-5-8(2)6-7/h3-6H2,1-2H3.
What are the key properties of N-(fluoromethyl)-N-methylbutan-1-amine?
N-(fluoromethyl)-N-methylbutan-1-amine has a molecular weight of 119.18 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-N-methylbutan-1-amine is sourced from PubChem (CID 126636484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).