ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine

C12H27FN2 — CID 142347878

IUPACethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine
SMILESCC.CNC1CCCN(C(C)C)CC1F
InChIInChI=1S/C10H21FN2.C2H6/c1-8(2)13-6-4-5-10(12-3)9(11)7-13;1-2/h8-10,12H,4-7H2,1-3H3;1-2H3
InChIKeyUSEBHGOYOQFPBV-UHFFFAOYSA-N
MW218.36 g/mol
LogP2.44
Rot. Bonds2

About ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine

ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine (PubChem CID 142347878) has the molecular formula C12H27FN2 and a molecular weight of 218.36 g/mol. Its IUPAC name is ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound Nameethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine
PubChem CID142347878
Molecular FormulaC12H27FN2
Molecular Weight218.36 g/mol
Exact Mass218.22
IUPAC Nameethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine
SMILESCC.CNC1CCCN(C(C)C)CC1F
InChIInChI=1S/C10H21FN2.C2H6/c1-8(2)13-6-4-5-10(12-3)9(11)7-13;1-2/h8-10,12H,4-7H2,1-3H3;1-2H3
InChIKeyUSEBHGOYOQFPBV-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-1-propan-2-ylazepan-4-amine
CID 142347784
(3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 167501461
(3R,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 177078816
(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine
CID 55287556
ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine
CID 178173299
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990
cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride
CID 164886232
N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 177033452
(3S,4S)-1-propan-2-ylazepane-3,4-diol
CID 166157364
(3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine
CID 177078737
1,3-difluoro-N-propan-2-ylpiperidin-4-amine
CID 174849475

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine?
The IUPAC name of ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine (CID 142347878) is ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine?
The canonical SMILES for ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine is CC.CNC1CCCN(C(C)C)CC1F.
What is the InChIKey of ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine?
The InChIKey is USEBHGOYOQFPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2.C2H6/c1-8(2)13-6-4-5-10(12-3)9(11)7-13;1-2/h8-10,12H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine?
ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine has a molecular weight of 218.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 142347878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).