5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen

C10H22F2N2 — CID 178011219

IUPAC5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen
SMILESCC(C)NC1CCN(C)CCC1(F)F.[H][H]
InChIInChI=1S/C10H20F2N2.H2/c1-8(2)13-9-4-6-14(3)7-5-10(9,11)12;/h8-9,13H,4-7H2,1-3H3;1H
InChIKeyQXHNTBVBWSZVFU-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.96
Rot. Bonds2

About 5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen

5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen (PubChem CID 178011219) has the molecular formula C10H22F2N2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen.

Molecular Properties

Compound Name5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen
PubChem CID178011219
Molecular FormulaC10H22F2N2
Molecular Weight208.30 g/mol
Exact Mass208.18
IUPAC Name5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen
SMILESCC(C)NC1CCN(C)CCC1(F)F.[H][H]
InChIInChI=1S/C10H20F2N2.H2/c1-8(2)13-9-4-6-14(3)7-5-10(9,11)12;/h8-9,13H,4-7H2,1-3H3;1H
InChIKeyQXHNTBVBWSZVFU-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylazepan-4-amine
CID 56698912
N,N-Dimethyl-4-azepanamine dihydrochloride
CID 75530974
N'-[3-(azepan-1-yl)propyl]-N-ethylpropane-1,3-diamine
CID 44321343
(Hexan-2-yl)(2,2,2-trifluoroethyl)amine
CID 43755070
1-Methylazepan-4-amine
CID 52911273
2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 61364891
1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 62428332
1-N,1-N-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine
CID 64554806
1-(2,2-Difluoroethyl)-3-methyl-1,4-diazepane
CID 64858810
N-ethyl-1,1,1-trifluorohexan-2-amine
CID 66206786
N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343735
1-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 81969881

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen?
The IUPAC name of 5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen (CID 178011219) is 5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen.
What is the SMILES notation for 5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen?
The canonical SMILES for 5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen is CC(C)NC1CCN(C)CCC1(F)F.[H][H].
What is the InChIKey of 5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen?
The InChIKey is QXHNTBVBWSZVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2.H2/c1-8(2)13-9-4-6-14(3)7-5-10(9,11)12;/h8-9,13H,4-7H2,1-3H3;1H.
What are the key properties of 5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen?
5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen has a molecular weight of 208.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-methyl-N-propan-2-ylazepan-4-amine;molecular hydrogen is sourced from PubChem (CID 178011219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).