N'-tert-butyl-2-fluoropropane-1,3-diamine

C7H17FN2 — CID 130349943

IUPACN'-tert-butyl-2-fluoropropane-1,3-diamine
SMILESCC(C)(C)NCC(F)CN
InChIInChI=1S/C7H17FN2/c1-7(2,3)10-5-6(8)4-9/h6,10H,4-5,9H2,1-3H3
InChIKeyJHMXJGBLLSIHAU-UHFFFAOYSA-N
MW148.22 g/mol
LogP0.67
Rot. Bonds3

About N'-tert-butyl-2-fluoropropane-1,3-diamine

N'-tert-butyl-2-fluoropropane-1,3-diamine (PubChem CID 130349943) has the molecular formula C7H17FN2 and a molecular weight of 148.22 g/mol. Its IUPAC name is N'-tert-butyl-2-fluoropropane-1,3-diamine.

Molecular Properties

Compound NameN'-tert-butyl-2-fluoropropane-1,3-diamine
PubChem CID130349943
Molecular FormulaC7H17FN2
Molecular Weight148.22 g/mol
Exact Mass148.14
IUPAC NameN'-tert-butyl-2-fluoropropane-1,3-diamine
SMILESCC(C)(C)NCC(F)CN
InChIInChI=1S/C7H17FN2/c1-7(2,3)10-5-6(8)4-9/h6,10H,4-5,9H2,1-3H3
InChIKeyJHMXJGBLLSIHAU-UHFFFAOYSA-N
XLogP0.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(tert-butylamino)propan-2-ol
CID 3016525
N-tert-butyl-2-fluoro-4-methylpentan-1-amine
CID 107446526
3-(tert-butylamino)-2-fluoropropane-1-sulfonic acid
CID 58692024
N',2-ditert-butylpropane-1,3-diamine
CID 139363560
N-tert-butyl-2-fluoro-4-methylhexan-1-amine
CID 107446596
N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine
CID 107446735
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine
CID 107446536
1-(tert-butylamino)-3,3-dimethylbutan-2-ol
CID 59827324
N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine
CID 107446634
N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane
CID 145194727
N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 107446774

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-fluoropropane-1,3-diamine?
The IUPAC name of N'-tert-butyl-2-fluoropropane-1,3-diamine (CID 130349943) is N'-tert-butyl-2-fluoropropane-1,3-diamine.
What is the SMILES notation for N'-tert-butyl-2-fluoropropane-1,3-diamine?
The canonical SMILES for N'-tert-butyl-2-fluoropropane-1,3-diamine is CC(C)(C)NCC(F)CN.
What is the InChIKey of N'-tert-butyl-2-fluoropropane-1,3-diamine?
The InChIKey is JHMXJGBLLSIHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17FN2/c1-7(2,3)10-5-6(8)4-9/h6,10H,4-5,9H2,1-3H3.
What are the key properties of N'-tert-butyl-2-fluoropropane-1,3-diamine?
N'-tert-butyl-2-fluoropropane-1,3-diamine has a molecular weight of 148.22 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-fluoropropane-1,3-diamine is sourced from PubChem (CID 130349943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).